 Entering Gaussian System, Link 0=g16
 Input=36a_RhEn3-lel3_STD_B3LYPDBJ-def2TZVPDr.in
 Output=36a_RhEn3-lel3_STD_B3LYPDBJ-def2TZVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2TZVPD.gbs
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            ****
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               5253.2344745              0.95310527769D-02
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            S    8   1.00
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               5885.6618668              0.93943844255D-02
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                194.57803492             0.29004470954
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                 58.840299883           -0.11547027448
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            S    1   1.00
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                197.93040142             0.20076506686D-01
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            D    1   1.00
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            -Sc     0
            S    8   1.00
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              28723.8503630              0.17890329946D-02
               6537.0116490              0.92990401140D-02
               1850.3097171              0.37739438011D-01
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                216.17324766             0.28814821470
                 83.712517880            0.40517543099
                 32.908707189            0.20566019623
            S    4   1.00
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                 65.128920139           -0.11570158142
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                224.09699732             0.19742967060D-01
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            -Ti     0
            S    8   1.00
             211575.6902500              0.23318151011D-03
              31714.9450580              0.18079690851D-02
               7217.5476543              0.93984311352D-02
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            S    4   1.00
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            -V     0
            S    8   1.00
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              34828.8411700              0.17888178962D-02
               7926.5448691              0.92992490131D-02
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                262.32219631             0.28963508811
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                 40.064784617            0.21113610858
            S    4   1.00
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                280.23075192             0.19643454466D-01
                 89.643627137            0.90796949190D-01
                 33.242411253            0.25650768222
                 13.144514452            0.40815393750
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              38131.7970540              0.18142601800D-02
               8675.2930607              0.94363925721D-02
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                286.90021489             0.29489696029
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                309.25311441             0.19544041017D-01
                 98.996273963            0.90651794553D-01
                 36.756916451            0.25699279154
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            -Mn     0
            S    8   1.00
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              41550.7698900              0.17707650375D-02
               9455.9700152              0.92077209994D-02
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                312.98306420             0.28824392499
                121.44454051             0.41041600847
                 47.922598829            0.21372375145
            S    4   1.00
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                342.06551197             0.19369286864D-01
                109.58400891             0.90236108988D-01
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              10262.5163170              0.91927083490D-02
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                339.87832894             0.28818881468
                131.94425588             0.41126612677
                 52.111494077            0.21518583573
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                101.92332739            -0.11683089050
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                  6.8840675801           0.53601640182
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                375.38006499             0.19253154755D-01
                120.31816501             0.90021836536D-01
                 44.788749031            0.25798172356
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            S    8   1.00
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              48839.6364530              0.17499397533D-02
              11114.9373070              0.91003134097D-02
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                368.02508816             0.28598731649
                142.91229205             0.40908312004
                 56.482649209            0.21500145739
            S    4   1.00
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                409.91750438             0.19382999967D-01
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            ****
            -Ni     0
            S    8   1.00
             351535.7293500              0.22529386884D-03
              52695.8092830              0.17468616223D-02
              11992.4682930              0.90849992136D-02
               3394.5776689              0.36940748447D-01
               1105.3594585              0.12032819950
                397.14677769             0.28596715057
                154.27542974             0.40983020196
                 61.018723780            0.21620642851
            S    4   1.00
                384.45559739            -0.24651279268D-01
                119.04879199            -0.11658505277
                 19.137012223            0.54864126676
                  8.1526718562           0.52640051122
            S    2   1.00
                 12.579408642           -0.22797884293
                  2.0870866081           0.70703738215
            S    1   1.00
                  0.86432568555          1.0000000
            S    1   1.00
                  0.13283169217          1.0000000
            S    1   1.00
                  0.46845327726D-01      1.0000000
            P    6   1.00
               1883.0907486              0.23748258443D-02
                445.95155320             0.19289457172D-01
                143.08430815             0.90718211507D-01
                 53.372920722            0.26181414117
                 21.321919357            0.42309149832
                  8.6643561994           0.24641686015
            P    3   1.00
                 34.144255211           -0.29677129163D-01
                  4.7122455921           0.55616824096
                  1.8709231845           0.96357766460
            P    1   1.00
                  0.70370016267          1.0000000
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.36887339850D-01      1.0000000
            D    4   1.00
                 74.591603465            0.12077454672D-01
                 21.590632752            0.74637262154D-01
                  7.6246142580           0.23236775502
                  2.8632206762           0.39042651680
            D    1   1.00
                  1.0311063388            .39509498921
            D    1   1.00
                  0.33060760691           .21138769167
            D    1   1.00
                  0.1060000              1.0000000
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    8   1.00
             377518.7992300              0.22811766128D-03
              56589.9843110              0.17688035931D-02
              12878.7117060              0.91993460227D-02
               3645.3752143              0.37411016434D-01
               1187.0072945              0.12189873737
                426.46421902             0.28983900714
                165.70660164             0.41531872174
                 65.598942707            0.21905799287
            S    4   1.00
                414.41265811            -0.24682525053D-01
                128.32056039            -0.11716827406
                 20.622089750            0.55301315941
                  8.7821226045           0.52242718609
            S    2   1.00
                 13.741372006           -0.22736061821
                  2.2431246833           0.71761210873
            S    1   1.00
                  0.89370549079          1.0000000
            S    1   1.00
                  0.10836699534          1.0000000
            S    1   1.00
                  0.38806178058D-01      1.0000000
            P    6   1.00
               2034.7596692              0.23524822298D-02
                481.90468106             0.19134070751D-01
                154.67482963             0.90171105278D-01
                 57.740576969            0.26063284735
                 23.099052811            0.42093485770
                  9.3882478591           0.24344615121
            P    3   1.00
                 37.596171210           -0.28991094530D-01
                  5.1240690810           0.54919083831
                  2.0119996085           0.93793330488
            P    1   1.00
                  0.73860686002          1.0000000
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.34015997020D-01      1.0000000
            D    4   1.00
                 74.129460637            0.14363216676D-01
                 21.359842587            0.86628177096D-01
                  7.4995240537           0.25631430541
                  2.7601394169           0.40374062368
            D    1   1.00
                  0.95362061236           .39427042447
            D    1   1.00
                  0.28420862520           .23091146816
            D    1   1.00
                  0.0850000              1.0000000
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    8   1.00
             405924.3102800              0.22442017483D-03
              60846.9557350              0.17402086626D-02
              13847.3430920              0.90513339565D-02
               3919.6158551              0.36817341445D-01
               1276.3594167              0.12004850256
                458.67254435             0.28576057621
                178.28725246             0.41087462062
                 70.612192837            0.21816962456
            S    4   1.00
                443.88077950            -0.24934274984D-01
                137.55875267            -0.11817955766
                 22.268083479            0.55367318468
                  9.5217310606           0.52628934936
            S    2   1.00
                 14.874114065           -0.22929955254
                  2.4647517612           0.71135484742
            S    1   1.00
                  1.0113272238           1.0000000
            S    1   1.00
                  0.14919852089          1.0000000
            S    1   1.00
                  0.51441872981D-01      1.0000000
            P    6   1.00
               2205.3508534              0.23356240448D-02
                522.35300699             0.19031022634D-01
                167.73055542             0.89955758675D-01
                 62.670045373            0.26113248631
                 25.109749456            0.42348448173
                 10.225142681            0.24618926885
            P    3   1.00
                 40.713442521           -0.30029667592D-01
                  5.6247090696           0.55575254864
                  2.2279949116           0.95581013442
            P    1   1.00
                  0.83354741691          1.0000000
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.0477690              1.0000000
            P    1   1.00
                  0.21234841485D-01      1.0000000
            D    4   1.00
                 88.554315311            0.12728170015D-01
                 25.721525557            0.79394499843D-01
                  9.1278367624           0.24491506805
                  3.4312364064           0.40390526479
            D    1   1.00
                  1.2308920645            .40158491145
            D    1   1.00
                  0.39031845112           .21579805034
            D    1   1.00
                  0.1240000              1.0000000
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    8   1.00
             435548.6625400              0.23646329650D-03
              65289.5890310              0.18335271776D-02
              14858.7842560              0.95371863081D-02
               4205.9734729              0.38803412468D-01
               1369.6416431              0.12661604848
                492.30348905             0.30175310292
                191.41923233             0.43543934218
                 75.840558665            0.23282363780
            S    4   1.00
                474.30810613            -0.26743707958D-01
                147.10297560            -0.12654657542
                 23.982599435            0.58840346839
                 10.298230094            0.56324271589
            S    2   1.00
                 16.050381430           -0.24516439508
                  2.6988468784           0.74578049593
            S    1   1.00
                  1.1428588736           1.0000000
            S    1   1.00
                  0.20217652251          1.0000000
            S    1   1.00
                  0.71980152032D-01      1.0000000
            S    1   1.00
                  0.30102057284D-01      1.0000000
            P    6   1.00
               2432.0171070              0.22434065928D-02
                576.12049582             0.18342265336D-01
                185.11584354             0.87279697167D-01
                 69.246572556            0.25684868351
                 27.818107777            0.42398378107
                 11.420229938            0.25701340043
            P    3   1.00
                 42.819661530           -0.19326519119D-01
                  6.3885901000           0.31571386917
                  2.6698993326           0.57617792822
            P    1   1.00
                  1.0781783834           1.0000000
            P    1   1.00
                  0.22796559371          1.0000000
            P    1   1.00
                  0.62836234833D-01      1.0000000
            D    5   1.00
                103.92331829             0.11464613652D-01
                 30.371094389            0.73625747383D-01
                 10.872078097            0.23505107382
                  4.1549137954           0.40318563513
                  1.5345659145           0.40824748152
            D    1   1.00
                  0.51114263830           .20502439263
            D    1   1.00
                  0.30622000             1.0000000
            D    1   1.00
                  0.11391309             1.0000000
            D    1   1.00
                  0.42871691594D-01      1.0000000
            F    1   1.00
                  0.30996095             1.0000000
            ****
            -Ge     0
            S    8   1.00
             466115.0059200              0.22487264660D-03
              69875.4207620              0.17435426729D-02
              15903.2767160              0.90691482206D-02
               4501.8233453              0.36906174685D-01
               1466.0570924              0.12050167907
                527.07841728             0.28748641703
                205.00395074             0.41622321885
                 81.251596065            0.22397845695
            S    4   1.00
                505.74661282            -0.25184609291D-01
                156.96593744            -0.11898929721
                 25.761448176            0.54930135870
                 11.106654687            0.52939309129
            S    2   1.00
                 17.272059104           -0.22854595728
                  2.9438289048           0.68377930317
            S    1   1.00
                  1.2839164916           1.0000000
            S    1   1.00
                  0.25873337445          1.0000000
            S    1   1.00
                  0.93524913177D-01      1.0000000
            S    1   1.00
                  0.41984351140D-01      1.0000000
            P    6   1.00
               2633.9346241              0.22143925310D-02
                624.00161628             0.18140899141D-01
                200.58528404             0.86632184922D-01
                 75.097081525            0.25649020592
                 30.214388474            0.42658611262
                 12.440087567            0.26200527313
            P    3   1.00
                 45.981316002           -0.20321767678D-01
                  6.9945654416           0.32013744527
                  2.9686001327           0.59051014555
            P    1   1.00
                  1.2320988495           1.0000000
            P    1   1.00
                  0.28981614974          1.0000000
            P    1   1.00
                  0.85564606447D-01      1.0000000
            D    5   1.00
                119.44887581             0.10586544521D-01
                 35.062915293            0.69601280945D-01
                 12.636924529            0.22807035287
                  4.8888672922           0.40301067220
                  1.8453195392           0.41304847015
            D    1   1.00
                  0.63571158892           .19639209740
            D    1   1.00
                  0.35492132             1.0000000
            D    1   1.00
                  0.13155709             1.0000000
            D    1   1.00
                  0.56134940012D-01      1.0000000
            F    1   1.00
                  0.36210645             1.0000000
            ****
            -As     0
            S    8   1.00
             498032.4215800              0.22740196900D-03
              74656.8687430              0.17632816413D-02
              16990.9600040              0.91728040381D-02
               4809.6200321              0.37337829344D-01
               1566.2887055              0.12199536117
                563.21360499             0.29137475324
                219.11179978             0.42326351479
                 86.866061030            0.22921464278
            S    4   1.00
                538.19512479            -0.25254197297D-01
                167.14850224            -0.11915461115
                 27.605517159            0.54628495980
                 11.947858521            0.53001520976
            S    2   1.00
                 18.538023133           -0.23479188136
                  3.2018985739           0.69167053428
            S    1   1.00
                  1.4356522077           1.0000000
            S    1   1.00
                  0.31837805200          1.0000000
            S    1   1.00
                  0.11622632186          1.0000000
            S    1   1.00
                  0.50450200093D-01      1.0000000
            P    6   1.00
               2678.9421546              0.23318955287D-02
                634.61765840             0.19042149977D-01
                203.93967606             0.90229744913D-01
                 76.323890369            0.26169037693
                 30.664124943            0.41857168155
                 12.505056732            0.23447830190
            P    4   1.00
                 49.256229549           -0.21235539870D-01
                  7.7274891466           0.30470206668
                  3.5410493476           0.52888373107
                  1.6985585501           0.37272250955
            P    1   1.00
                  0.76848071044          1.0000000
            P    1   1.00
                  0.30050823260          1.0000000
            P    1   1.00
                  0.98190639437D-01      1.0000000
            D    5   1.00
                135.33289305             0.99291144106D-02
                 39.860212744            0.66568843496D-01
                 14.446428359            0.22275768307
                  5.6432900356           0.40309224382
                  2.1668188623           0.41671667946
            D    1   1.00
                  0.76514970569           .18935502288
            D    1   1.00
                  0.42434653             1.0000000
            D    1   1.00
                  0.16331527             1.0000000
            D    1   1.00
                  0.67575334568D-01      1.0000000
            F    1   1.00
                  0.43271941             1.0000000
            ****
            -Se     0
            S    8   1.00
             531071.6669600              0.24108973168D-03
              79603.0441170              0.18696431441D-02
              18115.8442400              0.97271616536D-02
               5127.8923194              0.39604793031D-01
               1669.9130839              0.12948855136
                600.57534527             0.30959437289
                233.70021247             0.45115769216
                 92.672443932            0.24579189033
            S    4   1.00
                571.57513675            -0.26895707881D-01
                177.63686375            -0.12670989353
                 29.517767052            0.57699001719
                 12.824399795            0.56369075408
            S    2   1.00
                 19.848235841           -0.25132415534
                  3.4744018486           0.72905416980
            S    1   1.00
                  1.5988910849           1.0000000
            S    1   1.00
                  0.38333469387          1.0000000
            S    1   1.00
                  0.14049742459          1.0000000
            S    1   1.00
                  0.45053485505D-01      1.0000000
            P    6   1.00
               2815.3500566              0.25569026854D-02
                666.92558298             0.20874026901D-01
                214.34213188             0.98772096250D-01
                 80.246687942            0.28471821221
                 32.251081288            0.45003584934
                 13.106432562            0.24416091055
            P    4   1.00
                 53.366108516           -0.21558456273D-01
                  8.1827777195           0.32662310638
                  3.6239945672           0.57740499319
                  1.6341591401           0.34301320826
            P    1   1.00
                  0.58418320228          1.0000000
            P    1   1.00
                  0.23966269279          1.0000000
            P    1   1.00
                  0.88785134803D-01      1.0000000
            P    1   1.00
                  0.26632920997D-01      1.0000000
            D    5   1.00
                151.82910279             0.93970276988D-02
                 44.839992523            0.64086503991D-01
                 16.328999510            0.21834238004
                  6.4305057612           0.40314789649
                  2.5048025169           0.41966491490
            D    1   1.00
                  0.90271148434           .18366663432
            D    1   1.00
                  0.47683613             1.0000000
            D    1   1.00
                  0.18535160             1.0000000
            D    1   1.00
                  0.64254758023D-01      1.0000000
            F    1   1.00
                  0.48866905             1.0000000
            ****
            -Br     0
            S    8   1.00
             565073.2525600              0.23660314690D-03
              84701.7231790              0.18348332508D-02
              19276.2719000              0.95465849860D-02
               5456.4284576              0.38877142153D-01
               1776.9503500              0.12718314231
                639.19398276             0.30437662191
                248.78823961             0.44490940497
                 98.678305494            0.24381643058
            S    4   1.00
                606.07824568            -0.26527158709D-01
                188.45598484            -0.12484584809
                 31.497144506            0.56468683559
                 13.736008320            0.55555268564
            S    2   1.00
                 21.203212766           -0.24940920493
                  3.7616420178           0.71213119743
            S    1   1.00
                  1.7735933962           1.0000000
            S    1   1.00
                  0.45197413664          1.0000000
            S    1   1.00
                  0.16613377099          1.0000000
            S    1   1.00
                  0.52769579657D-01      1.0000000
            P    6   1.00
               3019.6955723              0.24971049798D-02
                715.35481126             0.20419267596D-01
                229.98328751             0.96897148309D-01
                 86.167844615            0.28053901252
                 34.667870802            0.44606390473
                 14.113870307            0.24410073923
            P    4   1.00
                 57.085653082           -0.21855950710D-01
                  8.8193845840           0.32707075320
                  3.9340302872           0.57855229520
                  1.7998830384           0.33570987698
            P    1   1.00
                  0.66899410512          1.0000000
            P    1   1.00
                  0.27136238231          1.0000000
            P    1   1.00
                  0.10083790243          1.0000000
            P    1   1.00
                  0.29005224647D-01      1.0000000
            D    5   1.00
                168.85370257             0.89663981988D-02
                 49.977949919            0.62062059316D-01
                 18.274913338            0.21474732384
                  7.2455694631           0.40335336746
                  2.8562315025           0.42208813080
            D    1   1.00
                  1.0459621144            .17874813267
            D    1   1.00
                  0.56865655             1.0000000
            D    1   1.00
                  0.22031490             1.0000000
            D    1   1.00
                  0.75865567476D-01      1.0000000
            F    1   1.00
                  0.57083312             1.0000000
            ****
            -Kr     0
            S    8   1.00
             600250.9757500              0.23740610399D-03
              89976.6507810              0.18410240539D-02
              20476.8142250              0.95795580699D-02
               5796.1554078              0.39020650488D-01
               1887.5913196              0.12772645628
                679.11458519             0.30596521300
                264.38244511             0.44857474437
                104.88368574             0.24722957327
            S    4   1.00
                641.47370764            -0.26745279805D-01
                199.57524820            -0.12571122567
                 33.545462954            0.56483736390
                 14.683955144            0.55972765539
            S    2   1.00
                 22.603101860           -0.25298771800
                  4.0650682991           0.70992159965
            S    1   1.00
                  1.9611027060           1.0000000
            S    1   1.00
                  0.52465147979          1.0000000
            S    1   1.00
                  0.19332399511          1.0000000
            S    1   1.00
                  0.61730246979D-01      1.0000000
            P    6   1.00
               3232.9589614              0.24885607974D-02
                765.96442694             0.20379007428D-01
                246.33940810             0.96977188584D-01
                 92.365283041            0.28199960954
                 37.199509551            0.45116254358
                 15.172166534            0.24917131496
            P    4   1.00
                 60.931321698           -0.22173603519D-01
                  9.4792600646           0.32838462778
                  4.2564686326           0.58124997120
                  1.9729313762           0.32863541783
            P    1   1.00
                  0.76337108716          1.0000000
            P    1   1.00
                  0.30943625526          1.0000000
            P    1   1.00
                  0.11569704458          1.0000000
            P    1   1.00
                  0.32364688085D-01      1.0000000
            D    5   1.00
                186.41760904             0.86120284601D-02
                 55.274124345            0.60394406304D-01
                 20.283219120            0.21181331869
                  8.0884536976           0.40366293413
                  3.2214033853           0.42402860686
            D    1   1.00
                  1.1952170102            .17441742274
            D    1   1.00
                  0.6480000              1.0000000
            D    1   1.00
                  0.2510000              1.0000000
            D    1   1.00
                  0.87900125404D-01      1.0000000
            F    1   1.00
                  0.6280000              1.0000000
            ****
            -Rb     0
            S    2   1.00
                  7.4744618040           0.26997866363
                  6.7296180594          -0.42629251814
            S    1   1.00
                  2.7816640004           1.0000000
            S    1   1.00
                  0.53452175148          1.0000000
            S    1   1.00
                  0.22368793034          1.0000000
            S    1   1.00
                  0.32410407052D-01      1.0000000
            S    1   1.00
                  0.14171047424D-01      1.0000000
            P    4   1.00
                  5.6720643194           0.48114224135D-01
                  3.3320183956          -0.18485131426
                  0.80150054910          0.42811864954
                  0.36302220227          0.58673165411
            P    1   1.00
                  0.15733924392          1.0000000
            P    1   1.00
                  0.40000000000D-01      1.0000000
            P    1   1.00
                  0.16000000000D-01      1.0000000
            D    1   1.00
                  0.25907866956          0.76806746340D-01
            D    1   1.00
                  0.42507438045D-01      0.37846160487
            D    1   1.00
                  0.11909276840D-01      1.0000000
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                 33.404240134            0.68377675770D-02
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
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                  6.2390917199           0.38470524721
            S    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
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            D    1   1.00
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            ****
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            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
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            S    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    2   1.00
                  6.0000000000          -0.56587174838
                  4.9822082226           0.97514768535
            S    1   1.00
                  2.1451943914           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                  4.9017938336           0.67755479813
                  2.6142685062          -0.46010554954
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            P    1   1.00
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            D    1   1.00
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                 10.00                   0.073
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44174952534
                  4.2709780000           0.85812466843
            S    1   1.00
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            S    1   1.00
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                  3.6808191615           0.14675038550
                  2.3265462081          -0.35581819167
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            -Hf     0
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                 16.000000000           -3.5064630782
                 14.400000000            4.3082581000
                 10.304504667           -0.91045809742
            S    1   1.00
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                  4.9203967161          -0.28227924657
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            P    1   1.00
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            D    1   1.00
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            ****
            -Ta     0
            S    4   1.00
                 24.473650944            0.20590322488
                 18.721372549           -0.74670795514
                 11.500000000            3.4071363897
                 10.350000000           -2.8175487609
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                 12.008186536            0.10336287365
                  5.0278760583          -0.28526521696
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    3   1.00
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            D    1   1.00
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            -W     0
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                 30.000000000            0.32246483410
                 27.000000000           -0.46692257214
                 13.078045684            0.42699563776
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                 12.431973432            0.10905673845
                  5.1586217658          -0.29399955020
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  5.9026268603          -0.17667540011
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            D    1   1.00
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            D    1   1.00
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            ****
            -Re     0
            S    3   1.00
                 30.000000000            0.31780717811
                 27.000000000           -0.46492321332
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                 12.318606250            0.99711498502D-01
                  5.3719234505          -0.29289398145
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  6.0949443610          -0.17722258734
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            D    1   1.00
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            D    1   1.00
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            ****
            -Os     0
            S    3   1.00
                 30.000000000            0.32213004804
                 27.000000000           -0.47922918137
                 13.524730005            0.47465946837
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                 14.000000000           -0.23201520402
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                  1.4139502215          -0.54253238176
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  6.3060397430          -0.16444229630
                  1.4890109110           0.55154541033
                  0.67315390607          0.88461370291
            D    1   1.00
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            D    1   1.00
                  0.11058012051          1.0000000
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                  0.5506500              1.0000000
            ****
            -Ir     0
            S    3   1.00
                 30.000000000            0.30797903228
                 27.000000000           -0.46726361781
                 13.961973911            0.47161003146
            S    1   1.00
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            P    4   1.00
                 15.902664143           -0.16290720099
                 14.415830698            0.23483212987
                  5.7597608991          -0.30305337176
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  6.5898192302          -0.17326965173
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                  0.71827834905          0.85273641436
            D    1   1.00
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            D    1   1.00
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            ****
            -Pt     0
            S    3   1.00
                 30.000000000            0.27148263900
                 27.000000000           -0.42226758774
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                 14.000000000            0.23853412989
                  6.1161212339          -0.31041379733
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  7.4207226520          -0.90271847072D-01
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            D    1   1.00
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            D    1   1.00
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            ****
            -Au     0
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                 27.000000000           -0.33267893394
                 14.746824331            0.38302817958
            S    1   1.00
                  5.6017248938           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                  1.6595601681          -0.57279670446
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  7.2698886937          -0.93690906606D-01
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                  0.79960541055          0.46795192483
            D    1   1.00
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            D    1   1.00
                  0.12445133105          1.0000000
            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    3   1.00
                 48.013786990            0.58008164912D-02
                 21.239875095           -0.17328165235
                 15.876100879            0.36416685034
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                 15.252594855            0.15327318234
                  6.4404715169          -0.30274955249
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            P    1   1.00
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            P    1   1.00
                  0.41304540122          1.0000000
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  7.5920661493          -0.94774230522D-01
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                  0.88641552102          0.45567078406
            D    1   1.00
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            D    1   1.00
                  0.14880740086          1.0000000
            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    4   1.00
                729.65038145             0.13672829828D-03
                 46.665548707            0.60443439951D-02
                 20.970448726           -0.20022066697
                 14.149588677            0.40801678488
            S    2   1.00
                 20.730134285           -0.71861135918D-01
                  6.1527631309           0.98057508445
            S    1   1.00
                  1.5757324480           1.0000000
            S    1   1.00
                  0.74980169458          1.0000000
            S    1   1.00
                  0.19536816194          1.0000000
            S    1   1.00
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            S    1   1.00
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            P    3   1.00
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                 14.814929544           -0.72859235151
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            P    3   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  9.7368866667           0.24456562496D-01
                  6.9256201679          -0.69914775031D-01
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                  1.0836187110           0.29731629705
                  0.52356298209          0.23728708102
            D    1   1.00
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            D    1   1.00
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            D    1   1.00
                  0.30807799761D-01      1.0000000
            F    1   1.00
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            F    1   1.00
                  0.2843500              1.0000000
            ****
            -Pb     0
            S    4   1.00
                591.61124370             0.22126521076D-03
                 46.757232559            0.56961959130D-02
                 20.746462696           -0.21374063831
                 14.610796419            0.40502620616
            S    2   1.00
                 20.222637612           -0.83541883299D-01
                  6.4767324865           0.97910892388
            S    1   1.00
                  1.6600600927           1.0000000
            S    1   1.00
                  0.80431655001          1.0000000
            S    1   1.00
                  0.22627039020          1.0000000
            S    1   1.00
                  0.84014530665D-01      1.0000000
            S    1   1.00
                  0.28533321717D-01      1.0000000
            P    3   1.00
                 15.189102118            0.61952303583
                 14.693144415           -0.72498497086
                  6.8705890048           0.37680007984
            P    3   1.00
                  2.2021426123           0.40196284806
                  1.2209125119           0.46058131862
                  0.63367559815          0.19367655397
            P    1   1.00
                  0.28202837058          1.0000000
            P    1   1.00
                  0.11333375666          1.0000000
            P    1   1.00
                  0.43948707430D-01      1.0000000
            D    6   1.00
                 61.315369628            0.33870800787D-03
                 12.372195840            0.13788683942D-01
                  6.9254944983          -0.75979608103D-01
                  2.3319539939           0.28113784298
                  1.2108730003           0.44474512269
                  0.60090478506          0.35326874351
            D    1   1.00
                  0.28135869813          1.0000000
            D    1   1.00
                  0.11500000000          1.0000000
            D    1   1.00
                  0.40071342706D-01      1.0000000
            F    1   1.00
                  1.0000000              1.0000000
            F    1   1.00
                  0.2896200              1.0000000
            ****
            -Bi     0
            S    4   1.00
                716.41435310             0.31254307133D-03
                 83.806059047            0.17624768946D-02
                 21.116962853           -0.21910983437
                 15.491448187            0.40411224931
            S    2   1.00
                 23.239855029           -0.68255758685D-01
                  6.6474255000           0.97888046471
            S    1   1.00
                  1.7617744005           1.0000000
            S    1   1.00
                  0.87252866000          1.0000000
            S    1   1.00
                  0.25618895997          1.0000000
            S    1   1.00
                  0.97073913006D-01      1.0000000
            S    1   1.00
                  0.35808906242D-01      1.0000000
            P    3   1.00
                 15.249644669            0.74560356000
                 14.846176053           -0.85578637338
                  7.0636826784           0.40149159592
            P    3   1.00
                  2.5881255616           0.35542729633
                  1.5020208499           0.63976991890
                  0.76732724388          0.32332773839
            P    1   1.00
                  0.32797648982          1.0000000
            P    1   1.00
                  0.13820335991          1.0000000
            P    1   1.00
                  0.55137330969D-01      1.0000000
            D    6   1.00
                 66.404481948            0.38102878348D-03
                 13.858426961            0.10746152442D-01
                  7.0654519000          -0.71947646845D-01
                  2.5252144035           0.26195974989
                  1.3419585000           0.42594750000
                  0.68340941000          0.33680325627
            D    1   1.00
                  0.32934755420          1.0000000
            D    1   1.00
                  0.14000000000          1.0000000
            D    1   1.00
                  0.50194378647D-01      1.0000000
            F    1   1.00
                  1.0500000              1.0000000
            F    1   1.00
                  0.3127100              1.0000000
            ****
            -Po     0
            S    5   1.00
               6744.8211765              0.76891556363D-04
                744.41892532             0.71284827354D-03
                131.04029309             0.22057583958D-02
                 19.662021030           -0.64364713744
                 16.623025609            0.91997150546
            S    2   1.00
                 23.094002965           -0.70404410177D-01
                  6.9707398381           0.97886540086
            S    1   1.00
                  1.8497377593           1.0000000
            S    1   1.00
                  0.93082999263          1.0000000
            S    1   1.00
                  0.28673026462          1.0000000
            S    1   1.00
                  0.10979212169          1.0000000
            S    1   1.00
                  0.35812540416D-01      1.0000000
            P    4   1.00
                  8.9027395407          -0.13798250445
                  5.7414667465           0.26304005326
                  1.9896329823           0.66225846161
                  0.94703210822          0.39547051892
            P    3   1.00
                253.99024497             0.83876362116D-04
                  9.8712718748           0.24572710458
                  7.4489893496          -0.44297763661
            P    1   1.00
                  0.37071136280          1.0000000
            P    1   1.00
                  0.15554706086          1.0000000
            P    1   1.00
                  0.61173720818D-01      1.0000000
            P    1   1.00
                  0.19437729576D-01      1.0000000
            D    6   1.00
                 67.943077046            0.48919125336D-03
                 14.914219894            0.10157120776D-01
                  7.2973948305          -0.69943263066D-01
                  2.6826784400           0.26244730680
                  1.4374143009           0.42702361494
                  0.73903797417          0.32502435477
            D    1   1.00
                  0.35838153281          1.0000000
            D    1   1.00
                  0.15000000000          1.0000000
            D    1   1.00
                  0.51710661379D-01      1.0000000
            F    1   1.00
                  1.4000000              1.0000000
            F    1   1.00
                  0.3327500              1.0000000
            ****
            -At     0
            S    5   1.00
               3635.9809356              0.12571463494D-03
                537.64129823             0.75950883820D-03
                 91.600030756            0.25790982348D-02
                 20.200005804           -0.54772187699
                 16.893873824            0.78417507786
            S    2   1.00
                 18.177216938           -0.13023627002
                  7.2317852082           0.96473566747
            S    1   1.00
                  1.9496199739           1.0000000
            S    1   1.00
                  0.99226695236          1.0000000
            S    1   1.00
                  0.31957178881          1.0000000
            S    1   1.00
                  0.12342539809          1.0000000
            S    1   1.00
                  0.40936378211D-01      1.0000000
            P    4   1.00
                  8.9484156471          -0.15012953475
                  5.9694592464           0.27048141788
                  2.1099088209           0.63671217722
                  1.0236370373           0.38057472615
            P    3   1.00
                216.81518928             0.16975297090D-03
                 10.592298115            0.22683755793
                  7.4596585430          -0.47336848377
            P    1   1.00
                  0.42186356565          1.0000000
            P    1   1.00
                  0.17757132268          1.0000000
            P    1   1.00
                  0.69670886939D-01      1.0000000
            P    1   1.00
                  0.20397906578D-01      1.0000000
            D    6   1.00
                 70.619633393            0.59974022914D-03
                 16.212096478            0.93445952839D-02
                  7.3607401479          -0.70748413897D-01
                  2.9309052592           0.24037366077
                  1.6085414823           0.41841372624
                  0.84194162715          0.32832651044
            D    1   1.00
                  0.41335677957          1.0000000
            D    1   1.00
                  0.17400000000          1.0000000
            D    1   1.00
                  0.59789898654D-01      1.0000000
            F    1   1.00
                  1.8000000              1.0000000
            F    1   1.00
                  0.3740800              1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_def2TZVPD/36a_RhEn3-lel3_STD/Gau-259131.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_def2TZVPD/36a_RhEn3-lel3_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    259145.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                22-Jul-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=42GB
 %chk=36a_RhEn3-lel3_STD_B3LYPDBJ-def2TZVPDr
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq Pseudo=Rea
 d
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,16=1,17=8,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Jul 22 20:32:27 2021, MaxMem=  5637144576 cpu:               1.0 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "36a_RhEn3-lel3_STD_B3LYPDBJ-def2TZVPDr.chk"
 Charge =  3 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -0.478199000000     -2.838320000000      0.749399000000
  C                                                -0.645629000000     -2.804461000000     -0.750307000000
  N                                                -1.078681000000     -1.418399000000     -1.150041000000
  Rh                                                0.000089000000      0.000061000000      0.000067000000
  N                                                 0.452614000000     -1.723960000000      1.149911000000
  N                                                 1.266579000000      1.253203000000      1.150361000000
  C                                                 2.697130000000      1.004980000000      0.749740000000
  C                                                 2.751749000000      0.843414000000     -0.749999000000
  N                                                 1.767955000000     -0.224596000000     -1.150132000000
  N                                                -0.689162000000      1.644142000000     -1.149359000000
  C                                                -2.106386000000      1.961118000000     -0.750083000000
  C                                                -2.219517000000      1.832701000000      0.749582000000
  N                                                -1.719027000000      0.469782000000      1.150195000000
  H                                                 3.756021000000      0.579430000000     -1.083089000000
  H                                                 2.470270000000      1.765046000000     -1.260306000000
  H                                                 3.333144000000      1.825874000000      1.082628000000
  H                                                 3.035123000000      0.102500000000      1.259954000000
  H                                                -2.380317000000      2.962746000000     -1.083117000000
  H                                                -2.763117000000      1.256285000000     -1.260915000000
  H                                                -3.248557000000      1.972847000000      1.082181000000
  H                                                -1.607166000000      2.576710000000      1.260000000000
  H                                                -1.376439000000     -3.542110000000     -1.083457000000
  H                                                 0.293217000000     -3.021476000000     -1.260748000000
  H                                                -0.085550000000     -3.799768000000      1.082032000000
  H                                                -1.428624000000     -2.679610000000      1.259901000000
  H                                                 1.413300000000     -2.037405000000      1.012360000000
  H                                                 0.376507000000     -1.580276000000      2.156655000000
  H                                                -2.086004000000     -1.339860000000     -1.011556000000
  H                                                -0.954028000000     -1.314487000000     -2.156803000000
  H                                                -2.470374000000     -0.206011000000      1.012941000000
  H                                                -1.556269000000      0.464260000000      2.156877000000
  H                                                -0.118063000000      2.477516000000     -1.010037000000
  H                                                -0.660849000000      1.484860000000     -2.156217000000
  H                                                 1.057396000000      2.241932000000      1.013461000000
  H                                                 1.180208000000      1.114623000000      2.156980000000
  H                                                 2.203896000000     -1.136230000000     -1.012433000000
  H                                                 1.615436000000     -0.167935000000     -2.156845000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     37 NQM=       37 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          14         103          14          14          12          12          14          14
 AtmWgt=  12.0000000  12.0000000  14.0030740 102.9048000  14.0030740  14.0030740  12.0000000  12.0000000  14.0030740  14.0030740
 NucSpn=           0           0           2           1           2           2           0           0           2           2
 AtZEff=   3.6000000   3.6000000   4.5500000 229.5000000   4.5500000   4.5500000   3.6000000   3.6000000   4.5500000   4.5500000
 NQMom=    0.0000000   0.0000000   2.0440000   0.0000000   2.0440000   2.0440000   0.0000000   0.0000000   2.0440000   2.0440000
 NMagM=    0.0000000   0.0000000   0.4037610  -0.0884000   0.4037610   0.4037610   0.0000000   0.0000000   0.4037610   0.4037610
 AtZNuc=   6.0000000   6.0000000   7.0000000  45.0000000   7.0000000   7.0000000   6.0000000   6.0000000   7.0000000   7.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          14           1           1           1           1           1           1           1
 AtmWgt=  12.0000000  12.0000000  14.0030740   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           2           1           1           1           1           1           1           1
 AtZEff=   3.6000000   3.6000000   4.5500000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.4037610   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   7.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=           1           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        31          32          33          34          35          36          37
 IAtWgt=           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Jul 22 20:32:27 2021, MaxMem=  5637144576 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.478199   -2.838320    0.749399
      2          6           0       -0.645629   -2.804461   -0.750307
      3          7           0       -1.078681   -1.418399   -1.150041
      4         45           0        0.000089    0.000061    0.000067
      5          7           0        0.452614   -1.723960    1.149911
      6          7           0        1.266579    1.253203    1.150361
      7          6           0        2.697130    1.004980    0.749740
      8          6           0        2.751749    0.843414   -0.749999
      9          7           0        1.767955   -0.224596   -1.150132
     10          7           0       -0.689162    1.644142   -1.149359
     11          6           0       -2.106386    1.961118   -0.750083
     12          6           0       -2.219517    1.832701    0.749582
     13          7           0       -1.719027    0.469782    1.150195
     14          1           0        3.756021    0.579430   -1.083089
     15          1           0        2.470270    1.765046   -1.260306
     16          1           0        3.333144    1.825874    1.082628
     17          1           0        3.035123    0.102500    1.259954
     18          1           0       -2.380317    2.962746   -1.083117
     19          1           0       -2.763117    1.256285   -1.260915
     20          1           0       -3.248557    1.972847    1.082181
     21          1           0       -1.607166    2.576710    1.260000
     22          1           0       -1.376439   -3.542110   -1.083457
     23          1           0        0.293217   -3.021476   -1.260748
     24          1           0       -0.085550   -3.799768    1.082032
     25          1           0       -1.428624   -2.679610    1.259901
     26          1           0        1.413300   -2.037405    1.012360
     27          1           0        0.376507   -1.580276    2.156655
     28          1           0       -2.086004   -1.339860   -1.011556
     29          1           0       -0.954028   -1.314487   -2.156803
     30          1           0       -2.470374   -0.206011    1.012941
     31          1           0       -1.556269    0.464260    2.156877
     32          1           0       -0.118063    2.477516   -1.010037
     33          1           0       -0.660849    1.484860   -2.156217
     34          1           0        1.057396    2.241932    1.013461
     35          1           0        1.180208    1.114623    2.156980
     36          1           0        2.203896   -1.136230   -1.012433
     37          1           0        1.615436   -0.167935   -2.156845
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.509403   0.000000
     3  N    2.446350   1.506150   0.000000
     4  Rh   2.974334   2.974114   2.120972   0.000000
     5  N    1.506194   2.446313   2.779930   2.121124   0.000000
     6  N    4.466048   4.871726   4.234330   2.120740   3.086428
     7  C    4.985345   5.285454   4.872236   2.974206   3.555995
     8  C    5.122101   4.984894   4.466321   2.974135   3.935364
     9  N    3.935096   3.555412   3.086827   2.121032   3.044407
    10  N    4.872602   4.466677   3.087213   2.121143   4.234903
    11  C    5.285267   4.984431   3.554895   2.974173   4.872192
    12  C    4.985040   5.121529   3.934428   2.974390   4.466585
    13  N    3.555816   3.935068   3.044069   2.121036   3.086831
    14  H    5.741746   5.562013   5.231649   3.951698   4.604823
    15  H    5.824377   5.554216   4.768808   3.287173   4.696088
    16  H    6.032585   6.374189   5.913909   3.951555   4.572013
    17  H    4.610046   5.102892   5.004457   3.287741   3.165031
    18  H    6.374052   6.031632   4.570904   3.951851   5.914146
    19  H    5.101765   4.608051   3.162839   3.286865   5.003486
    20  H    5.561740   5.740725   4.603447   3.951779   5.231600
    21  H    5.554982   5.824336   4.695582   3.287829   4.769756
    22  H    2.159055   1.090504   2.145517   3.951687   3.411603
    23  H    2.160861   1.090448   2.112869   3.287136   2.742304
    24  H    1.090505   2.159118   3.411653   3.951795   2.145509
    25  H    1.090463   2.160927   2.742432   3.287710   2.112918
    26  H    2.070841   2.816835   3.356950   2.678277   1.019846
    27  H    2.072092   3.315693   3.616354   2.700005   1.019790
    28  H    2.816271   2.070746   1.019827   2.677789   3.356196
    29  H    3.315794   2.072043   1.019758   2.700086   3.616721
    30  H    3.311686   3.631898   2.843446   2.677978   3.296481
    31  H    3.748368   4.468279   3.835127   2.699919   3.136542
    32  H    5.611009   5.314609   4.015039   2.678069   4.758513
    33  H    5.212087   4.513877   3.100949   2.700190   4.739916
    34  H    5.313825   5.610459   4.758318   2.677844   4.014060
    35  H    4.511913   5.210107   4.738688   2.699482   3.098570
    36  H    3.632464   3.312325   3.297555   2.678260   2.843967
    37  H    4.467720   3.747270   3.136173   2.699970   3.835102
                    6          7          8          9         10
     6  N    0.000000
     7  C    1.506183   0.000000
     8  C    2.446431   1.509405   0.000000
     9  N    2.779845   2.446372   1.506188   0.000000
    10  N    3.044087   3.934727   3.555351   3.087006   0.000000
    11  C    3.935699   5.122249   4.985051   4.466308   1.506127
    12  C    3.556586   4.985834   5.285917   4.872506   2.446123
    13  N    3.086680   4.466458   4.872184   4.234703   2.779873
    14  H    3.411684   2.159075   1.090504   2.145544   4.571395
    15  H    2.742658   2.160891   1.090435   2.112832   3.163690
    16  H    2.145514   1.090502   2.159113   3.411665   4.603666
    17  H    2.112789   1.090425   2.160825   2.742484   4.695929
    18  H    4.605520   5.742184   5.562431   5.231807   2.145486
    19  H    4.696031   5.824104   5.553850   4.768217   2.112858
    20  H    4.572635   6.033115   6.374651   5.914167   3.411498
    21  H    3.165770   4.610603   5.103386   5.004747   2.741792
    22  H    5.913587   6.374214   6.032077   4.571385   5.232008
    23  H    5.003375   5.102275   4.608972   3.163799   4.769221
    24  H    5.231198   5.562313   5.741580   4.604334   5.914356
    25  H    4.768976   5.555026   5.824681   4.696112   5.004615
    26  H    3.296767   3.312596   3.632695   2.844016   4.758904
    27  H    3.135835   3.748099   4.468186   3.835210   4.739436
    28  H    4.757906   5.610598   5.314033   4.014476   3.297639
    29  H    4.739352   5.211418   4.513138   3.100071   3.136652
    30  H    4.014101   5.314026   5.610688   4.758431   3.357279
    31  H    3.099028   4.512628   5.210826   4.739335   3.615964
    32  H    2.843149   3.631871   3.312662   3.298196   1.019842
    33  H    3.834332   4.466642   3.746295   3.135847   1.019772
    34  H    1.019845   2.070828   2.817175   3.357051   2.843520
    35  H    1.019778   2.072052   3.315693   3.616067   3.834946
    36  H    3.356431   2.816614   2.070750   1.019844   4.014848
    37  H    3.616483   3.315724   2.072016   1.019776   3.099971
                   11         12         13         14         15
    11  C    0.000000
    12  C    1.509399   0.000000
    13  N    2.446464   1.506164   0.000000
    14  H    6.032228   6.374671   5.914028   0.000000
    15  H    4.609181   5.102777   5.003842   1.757910   0.000000
    16  H    5.741568   5.562644   5.231442   2.534320   2.497517
    17  H    5.824931   5.555656   4.769579   2.497400   3.071617
    18  H    1.090508   2.159084   3.411723   6.582920   4.999408
    19  H    1.090429   2.160985   2.742656   6.556593   5.258058
    20  H    2.159140   1.090498   2.145528   7.462849   6.183479
    21  H    2.160696   1.090436   2.112751   6.184090   4.861710
    22  H    5.561428   5.741028   4.604546   6.582495   6.557008
    23  H    5.553838   5.823941   4.695812   4.998910   5.258360
    24  H    6.374028   6.032333   4.571865   6.214724   6.556365
    25  H    5.102524   4.609435   3.164655   6.556789   6.427113
    26  H    5.610934   5.314521   4.014531   4.089875   4.554210
    27  H    5.211080   4.513049   3.099510   5.155714   5.220215
    28  H    3.311380   3.631057   2.842999   6.149638   5.519235
    29  H    3.746515   4.466915   3.834720   5.188867   4.691806
    30  H    2.817302   2.070902   1.019832   6.616514   5.784694
    31  H    3.315664   2.071958   1.019769   6.223429   5.438952
    32  H    2.070669   2.815698   3.355694   4.314695   2.696241
    33  H    2.072103   3.315736   3.616972   4.634668   3.268802
    34  H    3.632969   3.312893   3.296625   3.800265   2.719127
    35  H    4.468699   3.748938   3.136080   4.173642   3.710142
    36  H    5.314219   5.611224   4.758735   2.314643   2.924004
    37  H    4.512627   5.211212   4.739392   2.508707   2.295853
                   16         17         18         19         20
    16  H    0.000000
    17  H    1.757919   0.000000
    18  H    6.215027   6.557284   0.000000
    19  H    6.555991   6.426942   1.757884   0.000000
    20  H    6.583342   6.558539   2.534217   2.497841   0.000000
    21  H    5.000188   5.260472   2.497395   3.071605   1.757963
    22  H    7.462396   6.183578   6.581863   4.997896   6.213660
    23  H    6.182990   4.861195   6.556695   5.257415   6.555665
    24  H    6.582957   4.999795   7.462267   6.182430   6.582378
    25  H    6.557839   5.259769   6.183173   4.860726   4.998910
    26  H    4.314587   2.696443   6.616953   5.784344   6.149789
    27  H    4.636496   3.271704   6.223765   5.439035   5.188474
    28  H    6.616241   5.784989   4.313254   2.694556   4.087700
    29  H    6.223795   5.440166   4.634849   3.268683   5.153877
    30  H    6.149328   5.519664   3.800341   2.719270   2.314689
    31  H    5.187905   4.692145   4.173613   3.710133   2.508913
    32  H    4.088363   4.553695   2.314861   2.924150   3.798955
    33  H    5.153483   5.219325   2.508438   2.296376   4.173917
    34  H    2.314502   2.923924   4.090609   4.554186   4.314900
    35  H    2.509032   2.295595   5.156658   5.220334   4.637424
    36  H    3.799808   2.718296   6.149928   5.518794   6.616873
    37  H    4.173725   3.709874   5.188458   4.690716   6.223557
                   21         22         23         24         25
    21  H    0.000000
    22  H    6.556293   0.000000
    23  H    6.426921   1.757909   0.000000
    24  H    6.557931   2.534191   2.497563   0.000000
    25  H    5.259351   2.497590   3.071690   1.757908   0.000000
    26  H    5.520380   3.799899   2.718456   2.314590   2.924079
    27  H    4.692492   4.173720   3.709803   2.508875   2.295910
    28  H    4.552886   2.314856   2.924145   3.799483   2.717829
    29  H    5.219439   2.508547   2.296159   4.173839   3.709807
    30  H    2.923987   4.089148   4.553454   4.313612   2.695352
    31  H    2.295523   5.155881   5.220260   4.636835   3.271816
    32  H    2.716677   6.150187   5.520047   6.616805   5.784992
    33  H    3.709204   5.189731   4.692459   6.224510   5.440786
    34  H    2.696803   6.616325   5.784415   6.149241   5.519294
    35  H    3.272877   6.222703   5.438284   5.187378   4.691158
    36  H    5.785678   4.314175   2.695646   4.089350   4.554199
    37  H    5.439951   4.635573   3.270160   5.154987   5.220054
                   26         27         28         29         30
    26  H    0.000000
    27  H    1.610378   0.000000
    28  H    4.102186   4.019866   0.000000
    29  H    4.021249   4.521823   1.610467   0.000000
    30  H    4.293824   3.361758   2.352008   3.684468   0.000000
    31  H    4.048035   2.813494   3.684350   4.704728   1.610416
    32  H    5.178771   5.170901   4.294782   4.048851   4.102088
    33  H    5.171878   5.391849   3.364574   2.814658   4.022063
    34  H    4.294112   4.047194   5.177923   5.171510   4.293901
    35  H    3.361513   2.812191   5.170324   5.391128   4.047178
    36  H    2.353071   3.685057   4.294730   3.363606   5.178441
    37  H    3.685056   4.704884   4.047932   2.813668   5.171348
                   31         32         33         34         35
    31  H    0.000000
    32  H    4.018828   0.000000
    33  H    4.521745   1.610500   0.000000
    34  H    3.361363   2.351967   3.684071   0.000000
    35  H    2.812699   3.684153   4.704278   1.610448   0.000000
    36  H    5.171551   4.295423   4.047854   4.102522   4.019882
    37  H    5.391436   3.364312   2.813042   4.021158   4.521445
                   36         37
    36  H    0.000000
    37  H    1.610453   0.000000
 Stoichiometry    C6H24N6Rh(3+)
 Framework group  C1[X(C6H24N6Rh)]
 Deg. of freedom   105
 Full point group                 C1      NOp   1
 RotChk:  IX=3 Diff= 1.97D-12
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -0.477057   -2.838512    0.749399
      2          6           0       -0.644501   -2.804721   -0.750307
      3          7           0       -1.078110   -1.418833   -1.150041
      4         45           0        0.000089    0.000061    0.000067
      5          7           0        0.453307   -1.723778    1.149911
      6          7           0        1.266075    1.253712    1.150361
      7          6           0        2.696725    1.006065    0.749740
      8          6           0        2.751409    0.844521   -0.749999
      9          7           0        1.768045   -0.223885   -1.150132
     10          7           0       -0.689823    1.643865   -1.149359
     11          6           0       -2.107175    1.960270   -0.750083
     12          6           0       -2.220254    1.831808    0.749582
     13          7           0       -1.719216    0.469090    1.150195
     14          1           0        3.755788    0.580941   -1.083089
     15          1           0        2.469560    1.766040   -1.260306
     16          1           0        3.332409    1.827215    1.082628
     17          1           0        3.035082    0.103721    1.259954
     18          1           0       -2.381509    2.961788   -1.083117
     19          1           0       -2.763622    1.255173   -1.260915
     20          1           0       -3.249350    1.971540    1.082181
     21          1           0       -1.608202    2.576063    1.260000
     22          1           0       -1.375014   -3.542663   -1.083457
     23          1           0        0.294432   -3.021358   -1.260748
     24          1           0       -0.084021   -3.799802    1.082032
     25          1           0       -1.427546   -2.680185    1.259901
     26          1           0        1.414120   -2.036836    1.012360
     27          1           0        0.377143   -1.580124    2.156655
     28          1           0       -2.085465   -1.340699   -1.011556
     29          1           0       -0.953499   -1.314871   -2.156803
     30          1           0       -2.470291   -0.207005    1.012941
     31          1           0       -1.556456    0.463634    2.156877
     32          1           0       -0.119060    2.477468   -1.010037
     33          1           0       -0.661446    1.484594   -2.156217
     34          1           0        1.056494    2.242357    1.013461
     35          1           0        1.179760    1.115098    2.156980
     36          1           0        2.204353   -1.135343   -1.012433
     37          1           0        1.615503   -0.167285   -2.156845
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.6901150           0.6900165           0.4769981
 Leave Link  202 at Thu Jul 22 20:32:28 2021, MaxMem=  5637144576 cpu:               0.1 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      14     15     16     17     18     19     20     21     22     23
 Centers:      24     25     26     27     28     29     30     31     32     33
 Centers:      34     35     36     37
 S 3 1.00
     Exponent=  3.4061341000D+01 Coefficients=  6.0251978000D-03
     Exponent=  5.1235746000D+00 Coefficients=  4.5021094000D-02
     Exponent=  1.1646626000D+00 Coefficients=  2.0189726000D-01
 S 1 1.00
     Exponent=  3.2723041000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.0307241000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  9.5774129632D-02 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      7      8     11     12
 S 6 1.00
     Exponent=  1.3575349682D+04 Coefficients=  2.2245814352D-04
     Exponent=  2.0352333680D+03 Coefficients=  1.7232738252D-03
     Exponent=  4.6322562359D+02 Coefficients=  8.9255715314D-03
     Exponent=  1.3120019598D+02 Coefficients=  3.5727984502D-02
     Exponent=  4.2853015891D+01 Coefficients=  1.1076259931D-01
     Exponent=  1.5584185766D+01 Coefficients=  2.4295627626D-01
 S 2 1.00
     Exponent=  6.2067138508D+00 Coefficients=  4.1440263448D-01
     Exponent=  2.5764896527D+00 Coefficients=  2.3744968655D-01
 S 1 1.00
     Exponent=  5.7696339419D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.2972831358D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  9.5164440028D-02 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.8475401370D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  3.4697232244D+01 Coefficients=  5.3333657805D-03
     Exponent=  7.9582622826D+00 Coefficients=  3.5864109092D-02
     Exponent=  2.3780826883D+00 Coefficients=  1.4215873329D-01
     Exponent=  8.1433208183D-01 Coefficients=  3.4270471845D-01
 P 1 1.00
     Exponent=  2.8887547253D-01 Coefficients=  4.6445822433D-01
 P 1 1.00
     Exponent=  1.0056823671D-01 Coefficients=  2.4955789874D-01
 D 1 1.00
     Exponent=  1.0970000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.1800000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  9.0985336424D-02 Coefficients=  1.0000000000D+00
 F 1 1.00
     Exponent=  7.6100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       3      5      6      9     10     13
 S 6 1.00
     Exponent=  1.9730800647D+04 Coefficients=  2.1887984991D-04
     Exponent=  2.9578958745D+03 Coefficients=  1.6960708803D-03
     Exponent=  6.7322133595D+02 Coefficients=  8.7954603538D-03
     Exponent=  1.9068249494D+02 Coefficients=  3.5359382605D-02
     Exponent=  6.2295441898D+01 Coefficients=  1.1095789217D-01
     Exponent=  2.2654161182D+01 Coefficients=  2.4982972552D-01
 S 2 1.00
     Exponent=  8.9791477428D+00 Coefficients=  4.0623896148D-01
     Exponent=  3.6863002370D+00 Coefficients=  2.4338217176D-01
 S 1 1.00
     Exponent=  8.4660076805D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  3.3647133771D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3647653675D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.8441605847D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  4.9200380510D+01 Coefficients=  5.5552416751D-03
     Exponent=  1.1346790537D+01 Coefficients=  3.8052379723D-02
     Exponent=  3.4273972411D+00 Coefficients=  1.4953671029D-01
     Exponent=  1.1785525134D+00 Coefficients=  3.4949305230D-01
 P 1 1.00
     Exponent=  4.1642204972D-01 Coefficients=  4.5843153697D-01
 P 1 1.00
     Exponent=  1.4260826011D-01 Coefficients=  2.4428771672D-01
 D 1 1.00
     Exponent=  1.6540000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  4.6900000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2829642058D-01 Coefficients=  1.0000000000D+00
 F 1 1.00
     Exponent=  1.0930000000D+00 Coefficients=  1.0000000000D+00
 ****
 Centers:       4
 S 2 1.00
     Exponent=  1.7000000000D+01 Coefficients= -1.6690803139D-01
     Exponent=  1.3910581694D+01 Coefficients=  3.4235001652D-01
 S 1 1.00
     Exponent=  5.2481265288D+00 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.2262575928D+00 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  5.3930216349D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.0130730377D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  3.7124139005D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.1767103631D+01 Coefficients=  5.9494859388D-02
     Exponent=  6.7485133083D+00 Coefficients= -2.3735853477D-01
     Exponent=  1.7502679834D+00 Coefficients=  4.9019334303D-01
     Exponent=  8.4321166133D-01 Coefficients=  5.0623933751D-01
 P 1 1.00
     Exponent=  3.8295544759D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1500000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  3.7000000000D-02 Coefficients=  1.0000000000D+00
 D 4 1.00
     Exponent=  1.9857830136D+01 Coefficients=  6.6960778187D-03
     Exponent=  1.0061378139D+01 Coefficients= -2.1981738213D-02
     Exponent=  2.2619546477D+00 Coefficients=  3.7918706236D-01
     Exponent=  9.7098845035D-01 Coefficients=  6.7289976592D-01
 D 1 1.00
     Exponent=  3.8391195297D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.3537026904D-01 Coefficients=  1.0000000000D+00
 F 1 1.00
     Exponent=  1.0949900000D+00 Coefficients=  1.0000000000D+00
 ****
 ======================================================================================================
                                       Pseudopotential Parameters
 ======================================================================================================
  Center     Atomic      Valence      Angular      Power
  Number     Number     Electrons     Momentum     of R      Exponent        Coefficient   SO-Coeffient
 ======================================================================================================
    1          6
                                   No pseudopotential on this center.
    2          6
                                   No pseudopotential on this center.
    3          7
                                   No pseudopotential on this center.
    4         45           17
                                      F and up 
                                                     2       12.3100000      -30.09345572    0.00000000
                                                     2        6.1600000       -5.21848192    0.00000000
                                      S - F
                                                     2       11.7200000      225.34775353    0.00000000
                                                     2        5.8200000       32.82318898    0.00000000
                                                     2       12.3100000       30.09345572    0.00000000
                                                     2        6.1600000        5.21848192    0.00000000
                                      P - F
                                                     2       10.4200000      158.70941159    0.00000000
                                                     2        5.4500000       26.44410049    0.00000000
                                                     2       12.3100000       30.09345572    0.00000000
                                                     2        6.1600000        5.21848192    0.00000000
                                      D - F
                                                     2        8.8200000       62.75862572    0.00000000
                                                     2        3.8700000       10.97871947    0.00000000
                                                     2       12.3100000       30.09345572    0.00000000
                                                     2        6.1600000        5.21848192    0.00000000
    5          7
                                   No pseudopotential on this center.
    6          7
                                   No pseudopotential on this center.
    7          6
                                   No pseudopotential on this center.
    8          6
                                   No pseudopotential on this center.
    9          7
                                   No pseudopotential on this center.
   10          7
                                   No pseudopotential on this center.
   11          6
                                   No pseudopotential on this center.
   12          6
                                   No pseudopotential on this center.
   13          7
                                   No pseudopotential on this center.
   14          1
                                   No pseudopotential on this center.
   15          1
                                   No pseudopotential on this center.
   16          1
                                   No pseudopotential on this center.
   17          1
                                   No pseudopotential on this center.
   18          1
                                   No pseudopotential on this center.
   19          1
                                   No pseudopotential on this center.
   20          1
                                   No pseudopotential on this center.
   21          1
                                   No pseudopotential on this center.
   22          1
                                   No pseudopotential on this center.
   23          1
                                   No pseudopotential on this center.
   24          1
                                   No pseudopotential on this center.
   25          1
                                   No pseudopotential on this center.
   26          1
                                   No pseudopotential on this center.
   27          1
                                   No pseudopotential on this center.
   28          1
                                   No pseudopotential on this center.
   29          1
                                   No pseudopotential on this center.
   30          1
                                   No pseudopotential on this center.
   31          1
                                   No pseudopotential on this center.
   32          1
                                   No pseudopotential on this center.
   33          1
                                   No pseudopotential on this center.
   34          1
                                   No pseudopotential on this center.
   35          1
                                   No pseudopotential on this center.
   36          1
                                   No pseudopotential on this center.
   37          1
                                   No pseudopotential on this center.
 ======================================================================================================
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   778 symmetry adapted cartesian basis functions of A   symmetry.
 There are   700 symmetry adapted basis functions of A   symmetry.
   700 basis functions,  1034 primitive gaussians,   778 cartesian basis functions
    58 alpha electrons       58 beta electrons
       nuclear repulsion energy      1198.1851107110 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   37 NActive=   37 NUniq=   37 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0805938414 Hartrees.
 Nuclear repulsion after empirical dispersion term =     1198.1045168696 Hartrees.
 Leave Link  301 at Thu Jul 22 20:32:29 2021, MaxMem=  5637144576 cpu:               7.4 elap:               1.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   42195 NPrTT=  103180 LenC2=   40882 LenP2D=   80325.
 LDataN:  DoStor=T MaxTD1= 6 Len=  172
 NBasis=   700 RedAO= T EigKep=  5.01D-06  NBF=   700
 NBsUse=   700 1.00D-06 EigRej= -1.00D+00 NBFU=   700
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Defaulting to unpruned grid for atomic number  45.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   776   776   776   776   776 MxSgAt=    37 MxSgA2=    37.
 Leave Link  302 at Thu Jul 22 20:32:30 2021, MaxMem=  5637144576 cpu:              12.5 elap:               1.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Jul 22 20:32:31 2021, MaxMem=  5637144576 cpu:               1.4 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "36a_RhEn3-lel3_STD_B3LYPDBJ-def2TZVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Jul 22 20:32:32 2021, MaxMem=  5637144576 cpu:              11.9 elap:               1.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5635920659 LenY=  5635314597
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 940000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 E= -681.634936869891    
 DIIS: error= 2.48D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -681.634936869891     IErMin= 1 ErrMin= 2.48D-03
 ErrMax= 2.48D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.76D-03 BMatP= 5.76D-03
 IDIUse=3 WtCom= 9.75D-01 WtEn= 2.48D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.231 Goal=   None    Shift=    0.000
 GapD=    0.231 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=3.45D-03 MaxDP=2.99D-01              OVMax= 7.83D-03

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  3.45D-03    CP:  1.02D+00
 E= -681.637633275515     Delta-E=       -0.002696405625 Rises=F Damp=F
 DIIS: error= 6.97D-05 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -681.637633275515     IErMin= 2 ErrMin= 6.97D-05
 ErrMax= 6.97D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.14D-06 BMatP= 5.76D-03
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.928D-02 0.101D+01
 Coeff:     -0.928D-02 0.101D+01
 Gap=     0.231 Goal=   None    Shift=    0.000
 RMSDP=1.13D-04 MaxDP=1.02D-02 DE=-2.70D-03 OVMax= 1.32D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  5.69D-05    CP:  1.02D+00  1.03D+00
 E= -681.637627044190     Delta-E=        0.000006231325 Rises=F Damp=F
 DIIS: error= 1.57D-04 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -681.637633275515     IErMin= 2 ErrMin= 6.97D-05
 ErrMax= 1.57D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.40D-05 BMatP= 4.14D-06
 IDIUse=3 WtCom= 4.44D-01 WtEn= 5.56D-01
 Coeff-Com: -0.685D-02 0.695D+00 0.312D+00
 Coeff-En:   0.000D+00 0.690D+00 0.310D+00
 Coeff:     -0.304D-02 0.692D+00 0.311D+00
 Gap=     0.231 Goal=   None    Shift=    0.000
 RMSDP=7.49D-06 MaxDP=2.06D-03 DE= 6.23D-06 OVMax= 9.27D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  6.92D-06    CP:  1.02D+00  1.03D+00  9.98D-01
 E= -681.637638215716     Delta-E=       -0.000011171526 Rises=F Damp=F
 DIIS: error= 2.66D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -681.637638215716     IErMin= 4 ErrMin= 2.66D-05
 ErrMax= 2.66D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.00D-07 BMatP= 4.14D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.229D-02 0.218D+00 0.178D+00 0.606D+00
 Coeff:     -0.229D-02 0.218D+00 0.178D+00 0.606D+00
 Gap=     0.231 Goal=   None    Shift=    0.000
 RMSDP=3.00D-06 MaxDP=2.90D-04 DE=-1.12D-05 OVMax= 1.46D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.96D-06    CP:  1.02D+00  1.03D+00  1.03D+00  1.02D+00
 E= -681.637638614872     Delta-E=       -0.000000399155 Rises=F Damp=F
 DIIS: error= 1.09D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -681.637638614872     IErMin= 5 ErrMin= 1.09D-05
 ErrMax= 1.09D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.46D-08 BMatP= 7.00D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.470D-03 0.382D-01 0.624D-01 0.321D+00 0.579D+00
 Coeff:     -0.470D-03 0.382D-01 0.624D-01 0.321D+00 0.579D+00
 Gap=     0.231 Goal=   None    Shift=    0.000
 RMSDP=7.46D-07 MaxDP=6.31D-05 DE=-3.99D-07 OVMax= 4.17D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  4.06D-07    CP:  1.02D+00  1.03D+00  1.03D+00  1.03D+00  9.55D-01
 E= -681.637638683410     Delta-E=       -0.000000068538 Rises=F Damp=F
 DIIS: error= 3.58D-06 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -681.637638683410     IErMin= 6 ErrMin= 3.58D-06
 ErrMax= 3.58D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.03D-08 BMatP= 9.46D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.439D-04-0.783D-02 0.140D-01 0.907D-01 0.297D+00 0.606D+00
 Coeff:      0.439D-04-0.783D-02 0.140D-01 0.907D-01 0.297D+00 0.606D+00
 Gap=     0.231 Goal=   None    Shift=    0.000
 RMSDP=2.28D-07 MaxDP=1.75D-05 DE=-6.85D-08 OVMax= 1.12D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.31D-07    CP:  1.02D+00  1.03D+00  1.04D+00  1.03D+00  9.57D-01
                    CP:  9.30D-01
 E= -681.637638691057     Delta-E=       -0.000000007647 Rises=F Damp=F
 DIIS: error= 2.95D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -681.637638691057     IErMin= 7 ErrMin= 2.95D-07
 ErrMax= 2.95D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.74D-11 BMatP= 1.03D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.185D-04-0.267D-02 0.329D-02 0.190D-01 0.698D-01 0.174D+00
 Coeff-Com:  0.736D+00
 Coeff:      0.185D-04-0.267D-02 0.329D-02 0.190D-01 0.698D-01 0.174D+00
 Coeff:      0.736D+00
 Gap=     0.231 Goal=   None    Shift=    0.000
 RMSDP=3.22D-08 MaxDP=1.84D-06 DE=-7.65D-09 OVMax= 1.75D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  2.50D-08    CP:  1.02D+00  1.03D+00  1.04D+00  1.03D+00  9.56D-01
                    CP:  9.43D-01  1.00D+00
 E= -681.637638691115     Delta-E=       -0.000000000058 Rises=F Damp=F
 DIIS: error= 1.61D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -681.637638691115     IErMin= 8 ErrMin= 1.61D-07
 ErrMax= 1.61D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.56D-11 BMatP= 7.74D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.605D-05-0.760D-03 0.595D-03 0.330D-02 0.141D-01 0.435D-01
 Coeff-Com:  0.354D+00 0.586D+00
 Coeff:      0.605D-05-0.760D-03 0.595D-03 0.330D-02 0.141D-01 0.435D-01
 Coeff:      0.354D+00 0.586D+00
 Gap=     0.231 Goal=   None    Shift=    0.000
 RMSDP=1.13D-08 MaxDP=4.67D-07 DE=-5.80D-11 OVMax= 5.36D-07

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  9.27D-09    CP:  1.02D+00  1.03D+00  1.04D+00  1.03D+00  9.58D-01
                    CP:  9.44D-01  1.01D+00  7.95D-01
 E= -681.637638691096     Delta-E=        0.000000000019 Rises=F Damp=F
 DIIS: error= 2.51D-08 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 8 EnMin= -681.637638691115     IErMin= 9 ErrMin= 2.51D-08
 ErrMax= 2.51D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.05D-13 BMatP= 1.56D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.156D-06 0.500D-04-0.242D-03-0.103D-02-0.300D-02-0.494D-02
 Coeff-Com:  0.363D-01 0.177D+00 0.796D+00
 Coeff:     -0.156D-06 0.500D-04-0.242D-03-0.103D-02-0.300D-02-0.494D-02
 Coeff:      0.363D-01 0.177D+00 0.796D+00
 Gap=     0.231 Goal=   None    Shift=    0.000
 RMSDP=2.70D-09 MaxDP=3.53D-07 DE= 1.91D-11 OVMax= 2.08D-07

 SCF Done:  E(RB3LYP) =  -681.637638691     A.U. after    9 cycles
            NFock=  9  Conv=0.27D-08     -V/T= 2.1198
 KE= 6.086951183613D+02 PE=-3.906605028650D+03 EE= 1.418167754728D+03
 Leave Link  502 at Thu Jul 22 20:44:54 2021, MaxMem=  5637144576 cpu:            5920.3 elap:             741.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   700
 NBasis=   700 NAE=    58 NBE=    58 NFC=     0 NFV=     0
 NROrb=    700 NOA=    58 NOB=    58 NVA=   642 NVB=   642

 **** Warning!!: The largest alpha MO coefficient is  0.84534058D+02

 Leave Link  801 at Thu Jul 22 20:44:55 2021, MaxMem=  5637144576 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
 Defaulting to unpruned grid for atomic number  45.
        11251 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          37
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
   1 Symmetry operations used in ECPInt.
 ECPInt:  NShTT=   42195 NPrTT=  103180 LenC2=   42196 LenP2D=  103180.
 LDataN:  DoStor=T MaxTD1= 7 Len=  274
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 Defaulting to unpruned grid for atomic number  45.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 6.21D-13 8.33D-09 XBig12= 1.00D+00 3.24D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 6.21D-13 8.33D-09 XBig12= 2.64D-01 1.12D-01.
     11 vectors produced by pass  2 Test12= 6.21D-13 8.33D-09 XBig12= 9.90D-02 6.43D-02.
     11 vectors produced by pass  3 Test12= 6.21D-13 8.33D-09 XBig12= 2.09D-02 1.93D-02.
     11 vectors produced by pass  4 Test12= 6.21D-13 8.33D-09 XBig12= 3.21D-03 1.06D-02.
     11 vectors produced by pass  5 Test12= 6.21D-13 8.33D-09 XBig12= 8.95D-04 7.78D-03.
     11 vectors produced by pass  6 Test12= 6.21D-13 8.33D-09 XBig12= 2.66D-04 7.73D-03.
     11 vectors produced by pass  7 Test12= 6.21D-13 8.33D-09 XBig12= 3.09D-05 1.92D-03.
     11 vectors produced by pass  8 Test12= 6.21D-13 8.33D-09 XBig12= 2.08D-06 4.76D-04.
     11 vectors produced by pass  9 Test12= 6.21D-13 8.33D-09 XBig12= 1.19D-07 9.82D-05.
     11 vectors produced by pass 10 Test12= 6.21D-13 8.33D-09 XBig12= 6.50D-09 2.22D-05.
      4 vectors produced by pass 11 Test12= 6.21D-13 8.33D-09 XBig12= 1.24D-10 1.97D-06.
      1 vectors produced by pass 12 Test12= 6.21D-13 8.33D-09 XBig12= 3.04D-12 3.93D-07.
      1 vectors produced by pass 13 Test12= 6.21D-13 8.33D-09 XBig12= 4.06D-14 4.83D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 7.82D-14
 Solved reduced A of dimension   127 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.155857D+03
      2 -0.289370D-02  0.155854D+03
      3 -0.318178D-03 -0.308725D-02  0.127987D+03
 Isotropic polarizability for W=    0.085645      146.57 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.609084D+02  0.913355D+02  0.948118D-02
      2  -0.609248D+02 -0.913329D+02 -0.172434D-01
      3   0.163599D-01 -0.262308D-02  0.776223D-02
      4   0.913164D+02 -0.609529D+02  0.284823D-02
      5  -0.156899D-01  0.574908D+01  0.396160D-02
      6  -0.574419D+01 -0.372445D-01 -0.132505D-01
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.311291D+01  0.518325D-01 -0.349389D-02
      2  -0.252945D-01 -0.308327D+01  0.345100D-02
      3  -0.198137D-01 -0.818340D-02 -0.790653D+00
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.574623D+01 -0.200011D-01  0.106274D-01
      2   0.251711D-01  0.574704D+01 -0.123983D-01
      3  -0.191846D-01  0.280864D-01 -0.114933D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.500402D+00 -0.598825D-02  0.475725D-02
      2  -0.598825D-02 -0.515021D+00  0.314412D-02
      3   0.475725D-02  0.314412D-02 -0.597140D+01
 OR G Eigenvalues:    -5.9714    -0.5172    -0.4983  Iso=     2.3289
 Eigenvectors:
   (1)  -0.000870  -0.000577   0.999999
   (2)   0.336338   0.941741   0.000836
   (3)   0.941741  -0.336339   0.000625
 w=    0.085645 a.u., Optical Rotation Beta=      2.3289 au.
 Molar Mass =    283.2013 grams/mole, [Alpha] ( 5320.0 A) =      390.02 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  245350 ScalPx= 2.39D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  245350 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 9.12D+02
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.03D-13 2.78D-09 XBig12= 1.00D+00 4.40D-01.
     30 vectors produced by pass  1 Test12= 1.03D-13 2.78D-09 XBig12= 1.00D+00 4.61D-01.
     30 vectors produced by pass  2 Test12= 1.03D-13 2.78D-09 XBig12= 1.06D-02 1.77D-02.
     30 vectors produced by pass  3 Test12= 1.03D-13 2.78D-09 XBig12= 6.40D-04 2.62D-03.
     30 vectors produced by pass  4 Test12= 1.03D-13 2.78D-09 XBig12= 9.56D-06 3.82D-04.
     30 vectors produced by pass  5 Test12= 1.03D-13 2.78D-09 XBig12= 7.77D-08 3.36D-05.
     30 vectors produced by pass  6 Test12= 1.03D-13 2.78D-09 XBig12= 5.51D-10 4.33D-06.
     30 vectors produced by pass  7 Test12= 1.03D-13 2.78D-09 XBig12= 3.86D-12 3.56D-07.
     10 vectors produced by pass  8 Test12= 1.03D-13 2.78D-09 XBig12= 2.59D-14 3.67D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.00D-15
 Solved reduced A of dimension   250 with    30 vectors.
 ECPInt:  NShTT=   42195 NPrTT=  103180 LenC2=   42196 LenP2D=  103180.
 LDataN:  DoStor=T MaxTD1= 7 Len=  274
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  245350 ScalPx= 9.74D+02
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  245350 ScalPx= 9.74D+02
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  245350 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.92D+02
 FullF1:  Do perturbations      1 to      30.
 ECPInt:  NShTT=   42195 NPrTT=  103180 LenC2=   42196 LenP2D=  103180.
 LDataN:  DoStor=T MaxTD1= 8 Len=  415
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.155857D+03 -0.289370D-02 -0.318178D-03
      2  -0.289370D-02  0.155854D+03 -0.308725D-02
      3  -0.318178D-03 -0.308725D-02  0.127987D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.311291D+01  0.518325D-01 -0.349389D-02
      2  -0.252945D-01 -0.308327D+01  0.345100D-02
      3  -0.198137D-01 -0.818340D-02 -0.790653D+00
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.609084D+02  0.913355D+02  0.948118D-02
      2  -0.609248D+02 -0.913329D+02 -0.172434D-01
      3   0.163599D-01 -0.262308D-02  0.776223D-02
      4   0.913164D+02 -0.609529D+02  0.284823D-02
      5  -0.156899D-01  0.574908D+01  0.396160D-02
      6  -0.574419D+01 -0.372445D-01 -0.132505D-01
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   111 ND12= 1 LenFil=    3999:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.288245D+01 -0.973284D+00 -0.265118D+01 -0.124173D+01 -0.296008D+01
      2  -0.973284D+00 -0.495683D+01  0.115613D+01 -0.296008D+01  0.752325D+01
      3  -0.265118D+01  0.115613D+01  0.805559D+00  0.382683D+00 -0.397204D+01
                 6             7             8             9            10 
      1   0.382683D+00 -0.190885D+01  0.718693D+00  0.100521D+01 -0.142725D+01
      2  -0.397204D+01  0.718693D+00 -0.262566D+01  0.972047D+00  0.390314D+01
      3   0.736077D+00  0.100521D+01  0.972047D+00  0.541567D+00  0.338967D+01
                11            12            13            14            15 
      1   0.390314D+01  0.338967D+01  0.289148D+01  0.400448D+01  0.628760D+00
      2   0.573931D+01  0.140066D+01  0.400448D+01  0.210467D+01  0.323597D+01
      3   0.140066D+01 -0.459305D+00  0.628760D+00  0.323597D+01  0.993239D+00
                16            17            18            19            20 
      1   0.252530D+01  0.767685D+00 -0.555522D+00  0.869323D+00 -0.226597D+01
      2   0.767685D+00  0.201589D+01  0.128853D+01 -0.226597D+01 -0.266191D+01
      3  -0.555522D+00  0.128853D+01 -0.541687D+00 -0.190497D+01 -0.878614D+00
                21            22            23            24            25 
      1  -0.190497D+01 -0.376473D+01 -0.561667D+01 -0.229375D+01 -0.239028D+01
      2  -0.878614D+00 -0.561667D+01 -0.679126D+01 -0.477742D+01 -0.144871D+01
      3  -0.107287D+01 -0.229375D+01 -0.477742D+01 -0.209698D+01 -0.153326D+01
                26            27            28            29            30 
      1  -0.144871D+01 -0.153326D+01 -0.132055D+01 -0.197134D+01 -0.311742D-02
      2  -0.280290D+01 -0.186843D+01 -0.197134D+01  0.129262D+01 -0.195973D+01
      3  -0.186843D+01  0.170236D+01 -0.311742D-02 -0.195973D+01 -0.448803D-02
                31            32            33            34            35 
      1  -0.199757D+01  0.132363D+01  0.198077D+01  0.217896D-01 -0.102052D-01
      2   0.132363D+01  0.200023D+01 -0.126449D-01 -0.102052D-01  0.226916D-01
      3   0.198077D+01 -0.126449D-01  0.314861D-02 -0.117212D-02 -0.343664D-02
                36            37            38            39            40 
      1  -0.117212D-02 -0.190150D+01  0.779718D+00  0.120187D+01  0.530004D+00
      2  -0.343664D-02  0.779718D+00 -0.481021D+00  0.598169D+00  0.282163D+01
      3   0.212019D-02  0.120187D+01  0.598169D+00  0.187567D+00 -0.818577D+00
                41            42            43            44            45 
      1   0.282163D+01 -0.818577D+00  0.142571D+01 -0.882139D+00  0.701488D+00
      2  -0.109729D+02  0.548351D+01 -0.882139D+00  0.374899D+01 -0.230919D+01
      3   0.548351D+01 -0.233997D+01  0.701488D+00 -0.230919D+01 -0.170416D+01
                46            47            48            49            50 
      1   0.497901D+01  0.541103D+01  0.431547D+01  0.269755D+01  0.339373D+01
      2   0.541103D+01  0.526193D+01  0.261237D+01  0.339373D+01  0.470593D+00
      3   0.431547D+01  0.261237D+01  0.193275D+01  0.120037D+01  0.236280D+01
                51            52            53            54            55 
      1   0.120037D+01  0.241773D+01  0.145059D+01  0.165468D+01 -0.469918D+00
      2   0.236280D+01  0.145059D+01  0.277604D+01  0.176974D+01 -0.310655D+01
      3   0.134252D+01  0.165468D+01  0.176974D+01 -0.169667D+01 -0.297324D+01
                56            57            58            59            60 
      1  -0.310655D+01 -0.297324D+01 -0.470132D+01 -0.515487D+01 -0.134524D+01
      2  -0.392178D+01 -0.569952D+00 -0.515487D+01 -0.227326D+00 -0.364763D+01
      3  -0.569952D+00 -0.104029D+01 -0.134524D+01 -0.364763D+01  0.325170D+00
                61            62            63            64            65 
      1  -0.182267D+01 -0.672075D+00 -0.134906D+01 -0.866029D+01  0.144952D+01
      2  -0.672075D+00 -0.271151D+01  0.380159D+00  0.144952D+01  0.217326D+01
      3  -0.134906D+01  0.380159D+00  0.541772D+00  0.415233D+01 -0.186241D+00
                66            67            68            69            70 
      1   0.415233D+01  0.346613D+01  0.216870D+01 -0.961058D+00  0.280292D+01
      2  -0.186241D+00  0.216870D+01 -0.222483D+01  0.247120D+01 -0.604130D+00
      3  -0.628338D+00 -0.961058D+00  0.247120D+01 -0.892483D+00 -0.837231D+00
                71            72            73            74            75 
      1  -0.604130D+00 -0.837231D+00  0.113208D+02 -0.109460D+01 -0.544070D+01
      2   0.173303D+01 -0.112356D+01 -0.109460D+01 -0.126764D+01  0.251829D+00
      3  -0.112356D+01 -0.542697D+00 -0.544070D+01  0.251829D+00  0.235765D+01
                76            77            78            79            80 
      1   0.219643D+01 -0.109483D+01 -0.115677D+01 -0.394602D+01  0.549905D+00
      2  -0.109483D+01  0.150692D+01 -0.124466D+01  0.549905D+00 -0.123524D+01
      3  -0.115677D+01 -0.124466D+01  0.109949D+00  0.238844D+01 -0.393631D+00
                81            82            83            84            85 
      1   0.238844D+01 -0.109493D+01  0.223621D+01 -0.268633D+01  0.442355D+00
      2  -0.393631D+00  0.223621D+01 -0.713630D+01  0.274110D+01 -0.437449D+01
      3   0.170409D+01 -0.268633D+01  0.274110D+01 -0.127976D+01  0.133090D+01
                86            87            88            89            90 
      1  -0.437449D+01  0.133090D+01 -0.145025D+01  0.901636D+00 -0.856937D+00
      2   0.641471D+01 -0.400182D+01  0.901636D+00 -0.376315D+01  0.225994D+01
      3  -0.400182D+01  0.197780D+01 -0.856937D+00  0.225994D+01  0.170351D+01
                91            92            93            94            95 
      1  -0.128708D+01  0.107624D+01  0.239743D+01  0.842449D-01  0.521434D+01
      2   0.107624D+01  0.347708D+01 -0.600674D-01  0.521434D+01 -0.632569D+01
      3   0.239743D+01 -0.600674D-01  0.109592D+01 -0.829741D+00  0.423339D+01
                96            97            98            99           100 
      1  -0.829741D+00  0.147575D+01 -0.159531D+00  0.139503D+01  0.790817D+01
      2   0.423339D+01 -0.159531D+00  0.305904D+01 -0.157897D+00 -0.393359D+01
      3  -0.936374D-01  0.139503D+01 -0.157897D+00 -0.546481D+00 -0.430811D+01
               101           102           103           104           105 
      1  -0.393359D+01 -0.430811D+01 -0.207171D+01 -0.220460D+01 -0.203109D+00
      2  -0.144770D+01  0.573585D+00 -0.220460D+01  0.730059D+00 -0.231126D+01
      3   0.573585D+00  0.235002D+00 -0.203109D+00 -0.231126D+01 -0.106638D+01
               106           107           108           109           110 
      1  -0.307007D+01 -0.524185D-01  0.344745D+00 -0.837055D+01  0.358714D+01
      2  -0.524185D-01 -0.145919D+01 -0.136059D+01  0.358714D+01  0.528110D+00
      3   0.344745D+00 -0.136059D+01  0.543785D+00  0.450872D+01 -0.109449D+01
               111           112           113           114           115 
      1   0.450872D+01  0.657798D+01 -0.915588D+00 -0.251121D+01  0.391781D+01
      2  -0.109449D+01 -0.915588D+00  0.703672D+00  0.217582D+01 -0.559078D+00
      3  -0.212575D+01 -0.251121D+01  0.217582D+01  0.100248D+01 -0.235611D+01
               116           117           118           119           120 
      1  -0.559078D+00 -0.235611D+01  0.119610D+02  0.194649D+00 -0.325854D+01
      2   0.122939D+01  0.546184D+00  0.194649D+00  0.971461D+00 -0.457833D-02
      3   0.546184D+00 -0.170450D+01 -0.325854D+01 -0.457833D-02  0.210859D+01
               121           122           123           124           125 
      1  -0.246123D+01  0.115142D+01  0.923382D+00 -0.330675D+01 -0.280752D-01
      2   0.115142D+01  0.165961D+00 -0.746893D+00 -0.280752D-01 -0.463646D+00
      3   0.923382D+00 -0.746893D+00 -0.257083D+00  0.262643D+01  0.207355D+00
               126           127           128           129           130 
      1   0.262643D+01  0.226721D+00  0.644354D+00 -0.926049D+00  0.112091D+01
      2   0.207355D+00  0.644354D+00 -0.697183D+00  0.233578D+00  0.506787D+00
      3  -0.154846D+01 -0.926049D+00  0.233578D+00 -0.330598D+00 -0.195525D+00
               131           132           133           134           135 
      1   0.506787D+00 -0.195525D+00 -0.135217D+01 -0.387132D+00  0.450196D+00
      2   0.473990D+01 -0.224602D+01 -0.387132D+00 -0.183158D+01  0.172694D+01
      3  -0.224602D+01  0.231421D+01  0.450196D+00  0.172694D+01 -0.222378D+01
               136           137           138           139           140 
      1   0.616905D+01  0.321500D+01  0.188098D+01  0.521321D+01  0.444564D+01
      2   0.321500D+01  0.268440D+01  0.867158D+00  0.444564D+01  0.448786D+01
      3   0.188098D+01  0.867158D+00  0.151422D+01  0.179525D+01  0.212242D+01
               141           142           143           144           145 
      1   0.179525D+01  0.227733D+01  0.136504D+01  0.220797D+01  0.221798D+01
      2   0.212242D+01  0.136504D+01  0.149065D+01  0.143523D+01 -0.919837D+00
      3   0.148823D+01  0.220797D+01  0.143523D+01  0.154779D+01  0.140012D+01
               146           147           148           149           150 
      1  -0.919837D+00  0.140012D+01 -0.203577D+01  0.166161D+01 -0.847754D+00
      2   0.100240D+01 -0.417429D+00  0.166161D+01 -0.289848D+01  0.177409D+01
      3  -0.417429D+00  0.115174D+01 -0.847754D+00  0.177409D+01 -0.203501D+01
               151           152           153           154           155 
      1   0.190767D+01 -0.330868D+00  0.140999D+01 -0.238696D+01  0.194672D+01
      2  -0.330868D+00  0.128071D+01 -0.109502D+01  0.194672D+01 -0.210094D+01
      3   0.140999D+01 -0.109502D+01  0.222222D+01 -0.978503D+00  0.395587D+00
               156           157           158           159           160 
      1  -0.978503D+00  0.311741D+01 -0.449002D+01  0.132331D+01 -0.119936D+01
      2   0.395587D+00 -0.449002D+01  0.923569D+01 -0.302987D+01  0.124536D+01
      3  -0.832378D+00  0.132331D+01 -0.302987D+01  0.195488D+01 -0.149362D+01
               161           162           163           164           165 
      1   0.124536D+01 -0.149362D+01 -0.374938D+01 -0.773847D+00 -0.190082D+01
      2  -0.257198D+01  0.217099D+01 -0.773847D+00 -0.109872D+01 -0.366184D+00
      3   0.217099D+01 -0.154946D+01 -0.190082D+01 -0.366184D+00 -0.184143D+01
               166           167           168           169           170 
      1  -0.205085D+01 -0.128721D+01 -0.795403D+00 -0.204963D+01 -0.135397D-01
      2  -0.128721D+01 -0.127541D+01 -0.127597D+01 -0.135397D-01 -0.114032D+01
      3  -0.795403D+00 -0.127597D+01 -0.144321D+01 -0.172271D+01 -0.474624D+00
               171           172           173           174           175 
      1  -0.172271D+01 -0.105498D+02  0.375244D+01  0.321336D+01  0.122516D+01
      2  -0.474624D+00  0.375244D+01 -0.227789D+01 -0.102383D+01 -0.142812D+01
      3  -0.222813D+01  0.321336D+01 -0.102383D+01 -0.204478D+01 -0.951051D-01
               176           177           178           179           180 
      1  -0.142812D+01 -0.951051D-01  0.286994D+01 -0.102207D+01 -0.234670D+01
      2   0.158426D+01  0.786985D+00 -0.102207D+01  0.897208D+00  0.119366D+01
      3   0.786985D+00  0.566976D+00 -0.234670D+01  0.119366D+01  0.154537D+01
               181           182           183           184           185 
      1   0.819769D+00  0.107668D+01  0.113156D+01  0.107066D+01  0.541362D+00
      2   0.107668D+01  0.184086D+01  0.693345D+00  0.541362D+00  0.419670D+01
      3   0.113156D+01  0.693345D+00  0.118580D+01  0.262201D+00  0.204257D+01
               186           187           188           189           190 
      1   0.262201D+00  0.115441D+01 -0.108520D+00  0.242595D+00 -0.306560D+01
      2   0.204257D+01 -0.108520D+00  0.204234D+01  0.176893D+01 -0.381461D+01
      3   0.201700D+01  0.242595D+00  0.176893D+01  0.222462D+01 -0.177371D+01
               191           192           193           194           195 
      1  -0.381461D+01 -0.177371D+01 -0.233089D+01 -0.318042D+01 -0.854008D+00
      2  -0.538887D+01 -0.178174D+01 -0.318042D+01 -0.772091D+01 -0.223352D+01
      3  -0.178174D+01 -0.127835D+01 -0.854008D+00 -0.223352D+01 -0.169818D+01
               196           197           198           199           200 
      1  -0.115068D+01 -0.121764D+01 -0.113401D+01  0.345518D+01 -0.161333D+01
      2  -0.121764D+01 -0.262035D+01 -0.237832D+01 -0.161333D+01  0.186103D+01
      3  -0.113401D+01 -0.237832D+01 -0.154895D+01 -0.193338D+01  0.777134D+00
               201           202           203           204           205 
      1  -0.193338D+01 -0.812280D+00  0.841317D+00  0.347253D+00 -0.137885D+01
      2   0.777134D+00  0.841317D+00 -0.171599D+01 -0.124030D+01  0.400311D+00
      3   0.216935D+01  0.347253D+00 -0.124030D+01 -0.873169D+00  0.127078D+01
               206           207           208           209           210 
      1   0.400311D+00  0.127078D+01  0.323110D+00 -0.160351D+01  0.908724D+00
      2  -0.181220D+01 -0.125493D+01 -0.160351D+01  0.364937D+01 -0.123297D+01
      3  -0.125493D+01 -0.222693D+01  0.908724D+00 -0.123297D+01  0.530742D+00
               211           212           213           214           215 
      1  -0.107728D+01  0.103908D+01 -0.305836D+00  0.504860D+00 -0.341584D+00
      2   0.103908D+01 -0.114455D+02  0.309329D+01 -0.341584D+00  0.326234D+01
      3  -0.305836D+00  0.309329D+01 -0.205405D+01  0.138436D+00 -0.262834D+01
               216           217           218           219           220 
      1   0.138436D+00 -0.462372D+01 -0.888538D+00  0.222967D+01  0.239133D+00
      2  -0.262834D+01 -0.888538D+00 -0.126439D+01  0.369221D+00 -0.627833D+00
      3   0.154528D+01  0.222967D+01  0.369221D+00 -0.233980D+01 -0.605576D-01
               221           222           223           224           225 
      1  -0.627833D+00 -0.605576D-01  0.172690D+01  0.438325D+00 -0.165390D+01
      2  -0.563780D+00  0.945545D+00  0.438325D+00  0.147004D+01 -0.673748D+00
      3   0.945545D+00  0.199567D-01 -0.165390D+01 -0.673748D+00  0.222527D+01
               226           227           228           229           230 
      1   0.528565D+01 -0.179935D+01  0.830690D+00 -0.194190D+01  0.101346D+01
      2  -0.179935D+01  0.341227D+01 -0.127729D+01  0.101346D+01 -0.467273D+00
      3   0.830690D+00 -0.127729D+01  0.134952D+01 -0.171979D+00 -0.554707D+00
               231           232           233           234           235 
      1  -0.171979D+00  0.247952D-01  0.120076D+00  0.584517D+00  0.647089D+00
      2  -0.554707D+00  0.120076D+00 -0.194549D+01  0.469506D+00 -0.394621D+00
      3  -0.114012D+00  0.584517D+00  0.469506D+00  0.243383D+00  0.696587D+00
               236           237           238           239           240 
      1  -0.394621D+00  0.696587D+00 -0.487697D+00 -0.455012D+00  0.230348D+00
      2  -0.975869D+00  0.304027D+00 -0.455012D+00  0.132825D+01 -0.172390D+00
      3   0.304027D+00 -0.202936D+00  0.230348D+00 -0.172390D+00  0.706601D+00
               241           242           243           244           245 
      1   0.987012D+00 -0.854000D-01  0.101671D+01 -0.673783D+01 -0.633495D+00
      2  -0.854000D-01  0.208164D+01 -0.121559D+01 -0.633495D+00 -0.222119D+01
      3   0.101671D+01 -0.121559D+01  0.738282D+01 -0.113596D+01 -0.573547D+00
               246           247           248           249           250 
      1  -0.113596D+01  0.144325D+00  0.553369D-01  0.530497D+00  0.352170D+00
      2  -0.573547D+00  0.553369D-01  0.956217D+00  0.866855D+00  0.784437D+00
      3  -0.128920D+01  0.530497D+00  0.866855D+00  0.413442D+00 -0.358633D+00
               251           252           253           254           255 
      1   0.784437D+00 -0.358633D+00 -0.601471D+00  0.639799D+00 -0.379960D+00
      2   0.157679D+01  0.658893D+00  0.639799D+00  0.122021D+01  0.531944D+00
      3   0.658893D+00 -0.237955D+00 -0.379960D+00  0.531944D+00  0.455763D+00
               256           257           258           259           260 
      1   0.352822D+00  0.778557D+00  0.459562D+00 -0.120858D+01 -0.446657D+00
      2   0.778557D+00  0.291388D+00 -0.142148D+00 -0.446657D+00 -0.186117D+01
      3   0.459562D+00 -0.142148D+00  0.577264D+00 -0.140723D+01 -0.733003D+00
               261           262           263           264           265 
      1  -0.140723D+01 -0.419511D+01 -0.184536D+01  0.419380D+00 -0.385542D+01
      2  -0.733003D+00 -0.184536D+01 -0.222918D+01  0.410303D+00 -0.907052D+00
      3  -0.738158D+01  0.419380D+00  0.410303D+00 -0.772690D+00  0.151587D+01
               266           267           268           269           270 
      1  -0.907052D+00  0.151587D+01 -0.155927D+01  0.794669D+00  0.113982D+00
      2  -0.248865D+01 -0.141379D+00  0.794669D+00 -0.366426D+00 -0.740707D+00
      3  -0.141379D+00 -0.111341D+01  0.113982D+00 -0.740707D+00  0.242131D+00
               271           272           273           274           275 
      1   0.121004D+01 -0.932453D+00 -0.187638D+00 -0.433131D+00 -0.501643D+00
      2  -0.932453D+00 -0.321450D+00  0.278959D+00 -0.501643D+00  0.300713D+00
      3  -0.187638D+00  0.278959D+00  0.716834D+00  0.205135D+00  0.710356D+00
               276           277           278           279           280 
      1   0.205135D+00  0.188138D+01 -0.430040D+00 -0.155881D+01  0.200797D+01
      2   0.710356D+00 -0.430040D+00  0.118653D+01 -0.269432D+00  0.490841D+00
      3  -0.175614D+00 -0.155881D+01 -0.269432D+00  0.738237D+01  0.384934D+00
               281           282           283           284           285 
      1   0.490841D+00  0.384934D+00  0.206066D+01  0.160852D+01 -0.302890D+00
      2   0.342263D+01 -0.140618D+01  0.160852D+01  0.513827D+01 -0.651657D+00
      3  -0.140618D+01  0.100203D+01 -0.302890D+00 -0.651657D+00  0.907481D+00
               286           287           288           289           290 
      1   0.593255D+00 -0.921730D+00  0.749540D+00 -0.418499D+00  0.238823D+00
      2  -0.921730D+00  0.134181D+01 -0.184146D-01  0.238823D+00  0.676284D+00
      3   0.749540D+00 -0.184146D-01 -0.238235D+00 -0.632028D+00 -0.315719D+00
               291           292           293           294           295 
      1  -0.632028D+00  0.339761D-03  0.114146D+01 -0.386848D+00 -0.131170D+01
      2  -0.315719D+00  0.114146D+01 -0.856347D+00  0.106252D+00  0.505135D+00
      3   0.276134D+00 -0.386848D+00  0.106252D+00 -0.678999D+00  0.708957D-01
               296           297           298           299           300 
      1   0.505135D+00  0.708957D-01 -0.120848D+01 -0.156172D+00 -0.835545D+00
      2  -0.176059D+01  0.158837D+01 -0.156172D+00 -0.106970D+01 -0.792323D+00
      3   0.158837D+01 -0.738117D+01 -0.835545D+00 -0.792323D+00 -0.578745D+00
               301           302           303           304           305 
      1   0.199047D+01  0.906200D-02  0.314659D+00 -0.135177D+01 -0.915592D+00
      2   0.906200D-02  0.673948D+01  0.111436D+01 -0.915592D+00 -0.567350D+00
      3   0.314659D+00  0.111436D+01  0.122556D+01 -0.698642D+00  0.269907D+00
               306           307           308           309           310 
      1  -0.698642D+00  0.372195D-01 -0.625390D+00  0.274600D+00 -0.103191D+01
      2   0.269907D+00 -0.625390D+00 -0.605622D+00 -0.473277D+00 -0.945536D+00
      3   0.242124D+00  0.274600D+00 -0.473277D+00 -0.512458D+00 -0.547453D+00
               311           312           313           314           315 
      1  -0.945536D+00 -0.547453D+00  0.173265D+01  0.515246D+00  0.543671D+00
      2   0.322522D+00  0.245287D+00  0.515246D+00  0.133449D+01  0.148252D+01
      3   0.245287D+00 -0.535604D+00  0.543671D+00  0.148252D+01  0.738234D+01
               316           317           318           319           320 
      1   0.125671D+01 -0.142121D+01  0.346000D+00 -0.377600D+01  0.180874D+01
      2  -0.142121D+01  0.226797D+01  0.326665D+00  0.180874D+01 -0.453008D+01
      3   0.346000D+00  0.326665D+00  0.287610D+00  0.143236D+01 -0.619190D+00
               321           322           323           324           325 
      1   0.143236D+01  0.194188D+01  0.138850D+00 -0.389204D+00 -0.150835D+01
      2  -0.619190D+00  0.138850D+00 -0.253642D-01 -0.641257D+00  0.124750D+00
      3  -0.132266D+01 -0.389204D+00 -0.641257D+00 -0.241951D+00  0.227697D+00
               326           327           328           329           330 
      1   0.124750D+00  0.227697D+00  0.650158D+00  0.615122D+00 -0.180501D+00
      2   0.642992D+00 -0.107601D+00  0.615122D+00 -0.436934D+00 -0.749179D+00
      3  -0.107601D+00 -0.728608D+00 -0.180501D+00 -0.749179D+00  0.108460D+00
               331           332           333 
      1  -0.208438D+01 -0.588273D-01  0.133744D+01
      2  -0.588273D-01 -0.985486D+00 -0.848770D+00
      3   0.133744D+01 -0.848770D+00 -0.738213D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.112682D+02 -0.620825D+01  0.540906D+01 -0.527425D+01  0.436133D+00
      2   0.325191D+00  0.265023D+01  0.335230D+01  0.167897D+01  0.201088D+01
      3  -0.918296D+01  0.210747D+01  0.953921D+01  0.607664D+01  0.712170D+01
                 6             7             8             9            10 
      1  -0.915404D+01 -0.377784D+00 -0.252315D+01  0.135221D+00  0.472080D+01
      2   0.102474D+01  0.548571D+00 -0.353103D+00 -0.521660D+00 -0.299655D+01
      3   0.155525D+01  0.102279D+02  0.206239D+01 -0.329125D+01  0.970223D+01
                11            12            13            14            15 
      1  -0.851502D+01 -0.682147D+01 -0.732253D+01  0.620694D+01 -0.676012D+01
      2   0.199479D+01  0.574872D+01  0.252757D+01  0.100648D+01  0.372912D+00
      3  -0.483862D+01 -0.822024D+01 -0.846067D+00 -0.762937D+01  0.508822D+01
                16            17            18            19            20 
      1  -0.325562D+00 -0.223679D+01 -0.337850D+00  0.407928D+00 -0.117739D+01
      2   0.836545D+00  0.104679D+01 -0.429514D+00  0.192304D+02  0.136008D+02
      3  -0.866816D+01  0.579909D+01  0.329576D+01 -0.213753D+02 -0.177774D+02
                21            22            23            24            25 
      1   0.317608D+01 -0.103050D+01 -0.149900D+02  0.215192D+01  0.111545D+02
      2   0.889004D+01  0.425252D+01 -0.651974D+00 -0.307169D+01 -0.998916D+01
      3  -0.864138D+01  0.694109D+00  0.137535D+02  0.207696D+01 -0.298267D+01
                26            27            28            29            30 
      1   0.185842D+02  0.182743D+02  0.218848D+01  0.345109D+01  0.725313D-01
      2  -0.118207D+02 -0.165637D+02  0.310374D+01 -0.217693D+01 -0.191659D+01
      3   0.254110D+01 -0.686430D+00 -0.113929D+00  0.865382D+00 -0.335033D-01
                31            32            33            34            35 
      1   0.315166D+01 -0.222544D+01  0.192886D+01  0.148738D+00 -0.335318D-01
      2  -0.216194D+01 -0.332489D+01  0.102896D+00  0.312405D+00 -0.241695D-01
      3  -0.962725D+00 -0.161691D-01  0.157103D+00  0.749234D-01  0.880424D-01
                36            37            38            39            40 
      1  -0.871359D-01  0.480351D+01 -0.262072D+01  0.159442D+01  0.102214D+01
      2  -0.210413D+00  0.888175D+01 -0.183697D+02  0.946714D+01 -0.980675D+01
      3  -0.109664D+00  0.102326D+02 -0.276921D+02  0.878127D+01 -0.925976D+01
                41            42            43            44            45 
      1   0.156508D+02  0.282990D+01 -0.479171D+01  0.255050D+02 -0.232512D+02
      2   0.277658D+01 -0.175830D+01 -0.314375D+01  0.541481D+01 -0.827711D+01
      3  -0.246403D+01 -0.139652D+01  0.374569D+01  0.119573D+01  0.715904D+00
                46            47            48            49            50 
      1   0.675347D+00 -0.174470D+01  0.437081D+01 -0.110107D+02 -0.210218D+02
      2   0.146330D+02  0.282208D+01 -0.114276D+01  0.168016D+01 -0.267396D+01
      3  -0.152928D+02 -0.555755D+01 -0.319510D+01  0.129565D+02  0.229438D+02
                51            52            53            54            55 
      1  -0.791403D+01  0.125643D+02  0.131482D+02  0.187949D+02  0.735767D+00
      2  -0.447265D+01 -0.155839D+02 -0.119189D+02 -0.159572D+02 -0.819199D+01
      3   0.830749D+01 -0.286806D+01  0.262681D+01  0.687506D+00  0.657623D+01
                56            57            58            59            60 
      1  -0.385137D+01 -0.391268D+00 -0.348271D+01  0.265757D+01 -0.669817D+01
      2   0.639358D+01  0.579833D+01  0.766361D+01 -0.233917D+01  0.682541D+01
      3   0.302963D+01 -0.611245D+01  0.702352D+01 -0.864023D+01  0.747134D+01
                61            62            63            64            65 
      1  -0.120459D+01 -0.102412D+01  0.382155D+00 -0.116745D+01 -0.226919D+01
      2   0.202732D+01  0.481621D+00  0.394586D+00 -0.187891D+01  0.328054D+01
      3  -0.689743D+01  0.781579D+01 -0.329891D+01 -0.573572D+01 -0.806214D+01
                66            67            68            69            70 
      1  -0.184616D+01 -0.335433D+01 -0.254427D+01 -0.289092D+01  0.798308D-01
      2   0.960468D+01  0.408749D+01  0.123058D+02 -0.457817D+01  0.247721D+01
      3  -0.296214D+00 -0.406736D+01  0.783540D+01 -0.964273D+01 -0.704907D+00
                71            72            73            74            75 
      1  -0.594751D+00  0.538308D+00 -0.435715D+01  0.103470D+02  0.320204D+01
      2   0.625066D+00 -0.788759D-01 -0.163877D+02 -0.107678D+01 -0.213155D+01
      3  -0.103965D+02  0.331163D+01 -0.237962D+01  0.102646D+02  0.245283D+01
                76            77            78            79            80 
      1   0.183795D+02 -0.437128D+01 -0.882608D+01 -0.229980D+01  0.216214D+01
      2   0.353498D+01 -0.537579D+01 -0.320121D+01 -0.265043D+02  0.157375D+01
      3   0.286890D+02 -0.513698D+01 -0.855423D+01 -0.674247D+00 -0.393276D+01
                81            82            83            84            85 
      1   0.525984D+01  0.214786D+01  0.396613D+01 -0.625739D+01 -0.406691D+01
      2   0.241671D+02  0.105144D+02 -0.106079D+02  0.331861D+01 -0.602041D+01
      3  -0.645625D+00  0.123955D+02 -0.201009D+02  0.613969D+01 -0.168492D+01
                86            87            88            89            90 
      1   0.212539D+02 -0.340974D+01 -0.983166D+01  0.221234D+02 -0.234806D+02
      2  -0.721863D+01  0.635500D+01 -0.652686D+01  0.919513D+01 -0.754401D+01
      3  -0.199787D+02  0.642891D+01  0.366380D+01  0.132714D+01 -0.702457D+00
                91            92            93            94            95 
      1  -0.800841D+01 -0.408389D+01 -0.989141D+00 -0.421274D+01  0.850413D+00
      2  -0.995941D+01 -0.829410D+00  0.339351D+01 -0.211428D+01  0.157874D+01
      3  -0.812601D+00  0.687397D+01  0.851413D+01  0.108950D+02  0.294760D+01
                96            97            98            99           100 
      1  -0.912611D+01  0.128126D+01 -0.177286D+01 -0.199896D+00 -0.150165D+01
      2  -0.547828D+01  0.125868D+01 -0.586287D+00  0.523102D+00 -0.202363D+01
      3   0.455736D+01  0.934343D+01  0.461596D+01  0.332355D+01 -0.505491D+00
               101           102           103           104           105 
      1   0.166122D+00  0.464588D+01 -0.113715D+01  0.891478D+01 -0.288115D+01
      2   0.296159D+01  0.961142D+01  0.263086D+01  0.102139D+02  0.181944D+01
      3  -0.110995D+02 -0.339628D+01 -0.712554D+01 -0.157945D+01 -0.902434D+01
               106           107           108           109           110 
      1   0.515283D+00 -0.105467D+01 -0.544582D+00  0.744223D+01  0.779491D+01
      2   0.203320D+01 -0.122040D+01  0.116418D+00 -0.200676D+02  0.263056D+01
      3  -0.329829D+01 -0.989421D+01 -0.331623D+01  0.166697D+02  0.553039D+01
               111           112           113           114           115 
      1  -0.624524D+01  0.134443D+02 -0.765257D+01 -0.500150D+01 -0.688544D+01
      2   0.172312D+01 -0.474181D+01 -0.348311D+01  0.606618D+01 -0.243815D+02
      3  -0.560580D+01  0.240631D+02 -0.900225D+01 -0.698726D+01 -0.947271D+00
               116           117           118           119           120 
      1   0.434476D+01  0.449810D+01  0.116408D+01 -0.166793D+01 -0.184483D+01
      2   0.752278D+01  0.243752D+02  0.294980D+01  0.101685D+01  0.557698D+01
      3  -0.390976D+01  0.716077D+00  0.692117D+01 -0.553348D+01 -0.293288D+01
               121           122           123           124           125 
      1  -0.180618D+00  0.107663D+01 -0.338654D+00 -0.129484D+01  0.138999D+01
      2  -0.357582D+01 -0.187060D+01  0.643267D+00  0.261025D+01 -0.326250D+00
      3  -0.205682D+01  0.177817D+01  0.242656D+01 -0.682178D+00  0.301164D+01
               126           127           128           129           130 
      1   0.768870D+00  0.758209D+00  0.106554D+01  0.740709D+00 -0.162050D+00
      2  -0.260811D+01 -0.440432D+01  0.146326D+01 -0.228278D+01  0.859946D+00
      3   0.101102D+01 -0.336262D+01  0.340216D+01 -0.195953D+01  0.262549D+01
               131           132           133           134           135 
      1  -0.312038D+01 -0.188496D+01 -0.119197D+00  0.120279D+01  0.881535D+00
      2  -0.689212D+01  0.765795D+01 -0.196998D+01  0.540799D+01 -0.643631D+01
      3  -0.151451D+02  0.722098D+01 -0.479332D+00  0.580970D+01 -0.578528D+01
               136           137           138           139           140 
      1   0.145649D+00  0.103291D+01 -0.160802D+01  0.265522D+01  0.229245D+01
      2   0.206669D+00  0.335299D+00  0.483219D+01 -0.421292D+01  0.304314D+00
      3  -0.135330D+01 -0.520347D+01 -0.849601D+00 -0.173077D+01 -0.736662D+01
               141           142           143           144           145 
      1  -0.108159D+01 -0.993504D+00  0.375623D+00 -0.974783D+00 -0.274795D+01
      2   0.281118D+01  0.159093D+01  0.261904D+01  0.253317D+01  0.317360D+01
      3  -0.371386D+01  0.128794D+01 -0.280623D+01 -0.101612D+01  0.480615D+01
               146           147           148           149           150 
      1   0.129829D+01 -0.128577D+01  0.261674D+01 -0.598996D+01  0.300461D+01
      2   0.206770D+00  0.262129D+01  0.491254D+00  0.433555D+01 -0.710305D+01
      3  -0.457024D+01  0.284775D+01 -0.531344D+01  0.136742D+02 -0.692379D+01
               151           152           153           154           155 
      1  -0.155714D+01  0.416350D+01 -0.321887D+01  0.138075D+01 -0.568146D+00
      2   0.997529D+00 -0.372850D+01  0.563722D+01  0.113832D+01 -0.689960D+00
      3   0.315118D+01 -0.491360D+01  0.578206D+01 -0.227071D+00 -0.205751D+01
               156           157           158           159           160 
      1   0.228407D+01  0.265962D+01 -0.344165D+01 -0.318954D+01  0.116661D+01
      2   0.271975D+01  0.288966D+01  0.248620D+00 -0.348864D+01  0.289034D-01
      3  -0.637092D+00  0.142135D+01  0.890693D+01 -0.375116D+01 -0.226840D+01
               161           162           163           164           165 
      1  -0.119518D+01  0.187854D+01  0.544321D+01  0.184239D+01  0.412758D+01
      2  -0.278760D+01  0.197407D+01  0.111081D+01 -0.441316D+00  0.385160D+01
      3  -0.209903D+01  0.101215D+01 -0.958403D+01 -0.624732D+01 -0.527575D+01
               166           167           168           169           170 
      1   0.295947D+01  0.551206D+01  0.424156D+01  0.370102D+01  0.418116D+01
      2  -0.119207D+01  0.248528D+01  0.426767D+01  0.999877D+00  0.159913D+01
      3  -0.699148D+01 -0.889694D+01 -0.530672D+01 -0.479832D+01 -0.332716D+01
               171           172           173           174           175 
      1   0.514651D+01 -0.461656D+00 -0.244494D+01  0.332766D+01  0.690586D+00
      2   0.399542D+01  0.360858D+01 -0.233746D+01  0.393295D+01  0.134549D+01
      3  -0.579474D+01 -0.886718D+01 -0.261100D+01  0.363790D+01  0.870961D+00
               176           177           178           179           180 
      1  -0.119695D+01 -0.198380D+01  0.256452D+01  0.464118D+00 -0.169885D+01
      2  -0.174703D+01 -0.213061D+01  0.167922D+01 -0.940455D+00 -0.210285D+01
      3   0.145144D+00  0.111733D+01  0.178406D+01  0.251920D+01 -0.101289D+01
               181           182           183           184           185 
      1  -0.200743D+01  0.134993D+01 -0.320259D+01  0.447772D+00 -0.102584D+00
      2  -0.521287D+01 -0.274129D+01 -0.411550D+01 -0.173937D+01 -0.613544D+01
      3   0.718865D+01  0.669853D+01  0.457459D+01  0.596735D+01  0.113077D+02
               186           187           188           189           190 
      1  -0.375103D+01 -0.959581D+00 -0.630131D+00 -0.328694D+01 -0.567137D+00
      2  -0.518812D+01 -0.381769D+01 -0.433500D+01 -0.561500D+01 -0.186671D+01
      3   0.593392D+01  0.268691D+01  0.519481D+01  0.578662D+01  0.635152D+01
               191           192           193           194           195 
      1   0.447347D+01 -0.225078D+01 -0.246974D+00  0.383540D+00 -0.534328D+01
      2  -0.230121D+01  0.572581D+00 -0.129332D+01 -0.614359D+00  0.104603D+01
      3   0.238224D+01  0.356906D+01  0.586049D+01  0.234679D+01  0.132774D+01
               196           197           198           199           200 
      1  -0.230129D+01 -0.202500D+01 -0.264038D+01 -0.504659D+01 -0.349726D+00
      2  -0.810281D+00  0.679118D+00  0.636424D+00  0.586133D+01 -0.217752D+01
      3   0.295051D+01 -0.912940D+00  0.101189D+01 -0.148297D+02  0.396455D+01
               201           202           203           204           205 
      1   0.773671D+01 -0.248614D+00 -0.357418D+01 -0.176279D+01  0.436012D+01
      2  -0.215733D+01 -0.821215D+00  0.185733D+01  0.662687D+00 -0.379337D+01
      3   0.723889D+01  0.321254D+01 -0.369140D+01 -0.191488D+01  0.528138D+01
               206           207           208           209           210 
      1  -0.611964D+00 -0.602981D+01  0.161578D+01  0.410607D+01  0.824401D-01
      2   0.931831D+00  0.245407D+01 -0.111661D+01  0.702670D+00  0.107099D+00
      3  -0.248881D+01 -0.578627D+01 -0.285788D+01  0.259268D+01 -0.278811D+01
               211           212           213           214           215 
      1  -0.644706D+00 -0.239859D+01 -0.580567D+01  0.862687D+00 -0.266571D+01
      2   0.157573D+01 -0.124691D+01  0.111938D+01 -0.144671D+01  0.761625D+00
      3   0.607300D+01 -0.585492D+01  0.258919D+01 -0.307384D+01  0.283106D+00
               216           217           218           219           220 
      1   0.267645D+01  0.669363D+01 -0.593136D+00 -0.809756D+01 -0.100567D+01
      2  -0.421440D+00  0.408915D+01  0.605702D+00  0.927024D+00 -0.670983D+00
      3  -0.101147D+01  0.157558D+02 -0.101864D+01 -0.742408D+01 -0.172925D+01
               221           222           223           224           225 
      1   0.419139D+01  0.128976D+01 -0.542177D+01  0.125239D+01  0.651305D+01
      2  -0.259001D+00 -0.298218D+00 -0.194132D+01  0.123020D+00 -0.435341D-01
      3   0.273855D+01  0.991818D+00 -0.584761D+01 -0.262875D+00  0.579170D+01
               226           227           228           229           230 
      1  -0.480060D+00  0.387229D+01  0.858916D+00  0.110695D+01  0.702135D+00
      2  -0.913420D+01  0.362719D+01 -0.260581D+00  0.123042D+01 -0.304011D+00
      3  -0.120665D+02  0.146069D+01 -0.202917D+01  0.199646D+01 -0.919917D+00
               231           232           233           234           235 
      1  -0.183541D+01  0.187627D+01 -0.243134D+01  0.744346D+00  0.177968D+01
      2  -0.603184D+00  0.147081D+01 -0.194094D+01 -0.286849D+00  0.302987D-01
      3  -0.429769D+00  0.192382D+01 -0.100181D+00 -0.593053D+00 -0.509271D+00
               236           237           238           239           240 
      1  -0.295831D+00 -0.431496D+00  0.128780D+01  0.816455D+00  0.303523D+01
      2   0.494536D+00 -0.123653D+01  0.147036D+00 -0.198915D+01  0.165080D+01
      3  -0.257727D+00 -0.176844D+01  0.337047D+00 -0.180850D+01 -0.140462D+00
               241           242           243           244           245 
      1   0.285078D+01  0.816921D+00  0.157604D+02 -0.175666D+01  0.263539D+01
      2  -0.152740D+01 -0.156460D+01  0.443496D+01 -0.960195D+01 -0.915529D+00
      3  -0.196451D+01 -0.202718D+01 -0.172918D+01  0.116350D+02 -0.297662D+01
               246           247           248           249           250 
      1  -0.135820D+01  0.964367D+00 -0.201905D+01 -0.990178D+00 -0.166057D+01
      2   0.508597D+00  0.243091D+01  0.968593D+00  0.111266D+01  0.296327D+01
      3   0.174758D+01 -0.246868D+01  0.131077D+01 -0.116561D+01 -0.183277D+01
               251           252           253           254           255 
      1  -0.914888D+00 -0.779757D+00 -0.136376D+01 -0.509504D+00  0.761254D+00
      2   0.172100D+01  0.519201D-02  0.310730D-01 -0.100846D+01 -0.223248D+01
      3   0.650465D+00  0.600678D+00  0.742885D+00  0.188290D+00  0.157660D+01
               256           257           258           259           260 
      1   0.108029D+01 -0.171485D+01  0.203246D+01 -0.246626D+01  0.250112D+01
      2  -0.125285D+01 -0.863737D+00 -0.199370D+01  0.171974D+00  0.116347D+01
      3   0.780820D+00  0.156792D+01 -0.804760D+00  0.102936D+01 -0.263217D+01
               261           262           263           264           265 
      1  -0.128642D+02 -0.314071D+01 -0.310180D+01  0.709291D+00 -0.383046D+01
      2   0.100998D+02  0.383953D+01  0.216750D+01  0.187538D+01  0.581823D+01
      3   0.174290D+01 -0.524704D+01 -0.590790D+01  0.708877D+00 -0.541674D+01
               266           267           268           269           270 
      1  -0.516561D+01  0.391846D+00 -0.560797D+00 -0.297446D-01 -0.617687D+00
      2   0.691570D+00 -0.418132D+00  0.380611D+01  0.533214D+00 -0.468022D+00
      3  -0.781650D+01  0.197841D+01 -0.104107D+01 -0.164883D+01 -0.617818D+00
               271           272           273           274           275 
      1  -0.181757D+01  0.107780D+01  0.359029D+00 -0.143566D-01 -0.115118D+01
      2   0.316470D+00  0.669779D-01 -0.349802D+01 -0.108965D+01 -0.159922D+01
      3  -0.150198D+01  0.236681D+00  0.763713D+00  0.833798D+00 -0.805847D+00
               276           277           278           279           280 
      1   0.778580D+00 -0.175239D+00  0.327412D+01 -0.404339D+01 -0.266729D+00
      2   0.864745D+00  0.920474D+00  0.146453D+01 -0.158477D+02  0.420192D+01
      3   0.159495D+01 -0.789541D+00  0.271404D+01 -0.172267D+01  0.623809D+01
               281           282           283           284           285 
      1  -0.576994D+01  0.690441D+00 -0.199438D+01 -0.532135D+01 -0.167607D+01
      2   0.326195D+01 -0.191531D+00  0.300502D+01  0.336863D+01 -0.957975D+00
      3   0.556886D+01 -0.187525D+01  0.604705D+01  0.670682D+01 -0.942376D+00
               286           287           288           289           290 
      1  -0.279234D-01 -0.391696D+01  0.383877D+00  0.123924D+01  0.132050D+01
      2  -0.282295D-01  0.809846D-01  0.670008D+00  0.147717D+01  0.137600D+00
      3   0.148750D+01  0.128011D+01  0.600465D+00  0.953404D+00 -0.901864D+00
               291           292           293           294           295 
      1  -0.123000D+01  0.303167D+00 -0.404746D+00  0.336569D+01 -0.896725D+00
      2  -0.896526D+00 -0.110557D+01  0.164262D+01 -0.146829D-01 -0.340417D+01
      3  -0.148731D+01 -0.303460D+00  0.135895D+01 -0.961167D+00 -0.279100D+01
               296           297           298           299           300 
      1  -0.108862D+01  0.151851D+02 -0.900545D+00 -0.364340D+01 -0.112094D+01
      2  -0.411076D+00  0.609380D+01  0.241943D+01 -0.135369D+01  0.661958D+00
      3   0.418126D+00  0.174963D+01 -0.223585D+01  0.371709D+01  0.138111D+01
               301           302           303           304           305 
      1  -0.773566D-01  0.896051D+01 -0.817043D+00 -0.138873D+01 -0.337060D+01
      2  -0.257286D+01  0.249399D+01  0.138809D+01  0.514045D+00  0.134434D+01
      3   0.420321D+01 -0.107562D+02 -0.160048D+01 -0.879710D+00  0.173478D+01
               306           307           308           309           310 
      1  -0.105495D+00  0.312181D+00  0.144576D+01  0.191736D+01  0.993946D+00
      2   0.770948D+00  0.190450D+01 -0.839654D+00 -0.168303D+01  0.712920D+00
      3  -0.607611D+00 -0.144881D+01 -0.874118D+00  0.998669D+00 -0.271991D+00
               311           312           313           314           315 
      1   0.590124D-01  0.260699D+01 -0.750265D+00 -0.544730D+00 -0.117054D+02
      2   0.133053D+01 -0.699762D+00 -0.294348D+01  0.204276D+01  0.114300D+02
      3  -0.852867D+00 -0.146051D+01  0.273827D+01 -0.672949D+00 -0.172392D+01
               316           317           318           319           320 
      1   0.107448D+01 -0.209095D+01  0.300593D+00 -0.415621D+01  0.825851D+01
      2   0.164597D+00 -0.143197D+01  0.193424D+01 -0.457075D+01  0.827152D+00
      3   0.151887D+01 -0.334665D+01  0.147784D+00 -0.286047D+01  0.113855D+02
               321           322           323           324           325 
      1   0.475753D+00  0.175720D+01 -0.962554D+00  0.365784D+00  0.213085D+01
      2  -0.501717D+00  0.289314D+01 -0.167124D+01 -0.701887D+00 -0.370832D+00
      3   0.213242D+01  0.359068D+00 -0.187352D+01  0.579495D+00  0.180289D+01
               326           327           328           329           330 
      1   0.260251D+00 -0.138603D+01 -0.308695D+00  0.183410D+00  0.987474D+00
      2  -0.112185D+01 -0.328311D+01  0.379802D+00 -0.185749D+01  0.167059D+00
      3  -0.192142D+00 -0.913986D-01  0.405232D+00  0.529742D+00  0.176454D+01
               331           332           333 
      1   0.140621D+01  0.208145D+01 -0.232052D+01
      2  -0.271475D+00 -0.269996D+01 -0.161972D+02
      3   0.175355D+01  0.221071D+01  0.173255D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.653788D+01 -0.140950D+02  0.795348D+01 -0.100213D+02  0.297852D+02
      2   0.109412D+02  0.252846D+02 -0.870341D+01  0.186692D+02 -0.435353D+02
      3  -0.440332D+01 -0.111896D+02  0.749931D+00 -0.864785D+01  0.137501D+02
      4  -0.100611D+02  0.621272D+01  0.128545D+02  0.663659D+01  0.122431D+02
      5   0.831842D+01  0.396856D+00 -0.761845D+01 -0.310451D+01 -0.311951D+01
      6   0.144960D+02 -0.918716D+01 -0.561733D+01 -0.400443D+01  0.265001D+02
                 6             7             8             9            10 
      1  -0.136738D+02  0.645812D+01 -0.874998D+01 -0.109091D+01  0.123949D+02
      2   0.256081D+02 -0.673749D+01  0.172506D+02 -0.296061D+01 -0.176280D+02
      3  -0.119343D+02  0.279371D+00 -0.850057D+01  0.405152D+01  0.523309D+01
      4   0.204452D+00  0.105334D+02 -0.222687D+01 -0.422356D+01  0.103188D+01
      5  -0.929852D+00 -0.648935D+01 -0.328300D+00  0.807056D+00 -0.969382D+00
      6  -0.657788D+01 -0.382363D+01 -0.733356D+01 -0.366768D+01 -0.222381D+02
                11            12            13            14            15 
      1   0.119097D+02 -0.203426D+00  0.969513D+01  0.111782D+01  0.882549D+01
      2  -0.265962D+02 -0.507919D+01 -0.218592D+02 -0.518598D+01 -0.195541D+02
      3   0.146865D+02  0.528262D+01  0.121641D+02  0.406816D+01  0.107286D+02
      4  -0.242016D+02 -0.191054D+02 -0.201465D+02 -0.222923D+02 -0.698228D+01
      5  -0.886495D+01 -0.516364D+01 -0.364751D+01 -0.991924D+01  0.314062D+00
      6  -0.880213D+01  0.499910D+01 -0.536304D+01 -0.176323D+02 -0.907401D+01
                16            17            18            19            20 
      1  -0.139047D+01  0.423526D+01  0.163517D+01 -0.184279D+02 -0.494953D+01
      2  -0.213247D+01 -0.119901D+02 -0.570604D+01  0.123818D+02  0.710733D+01
      3   0.352294D+01  0.775489D+01  0.407087D+01  0.604610D+01 -0.215779D+01
      4  -0.153231D+02 -0.534653D+01  0.231022D+01 -0.780730D+01  0.513848D+01
      5  -0.515100D+01 -0.588171D+00  0.214108D+01 -0.433238D+01  0.258403D+01
      6   0.290561D+01 -0.870678D+01  0.307698D+01  0.473804D+01  0.267017D+01
                21            22            23            24            25 
      1  -0.229921D+01 -0.101667D+02 -0.126552D+02 -0.109420D+02 -0.100699D+01
      2   0.277520D+00  0.150349D+02  0.121123D+02  0.130037D+02  0.198265D+01
      3   0.202169D+01 -0.486817D+01  0.542853D+00 -0.206170D+01 -0.975656D+00
      4   0.204066D+01  0.770695D+01  0.107943D+02  0.552325D+01  0.348216D+00
      5   0.393333D+01  0.160119D+01  0.901523D+01  0.204619D+01  0.302187D+01
      6   0.221662D+01  0.456770D+01  0.920800D+01  0.705288D+01 -0.144227D+00
                26            27            28            29            30 
      1  -0.564868D+01  0.358168D+01 -0.916481D+01 -0.176075D-01 -0.534080D+01
      2   0.526243D+01  0.126649D+02  0.320901D+01  0.281957D-01  0.535405D+01
      3   0.386251D+00 -0.162466D+02  0.595580D+01 -0.105882D-01 -0.132484D-01
      4   0.370916D+01 -0.790766D-01  0.108313D-01 -0.610649D+01  0.355202D+01
      5   0.520370D+00 -0.450826D+01 -0.325700D+01  0.219353D+01 -0.327865D+01
      6   0.591655D+01 -0.720843D+01  0.219063D+01  0.334350D+01 -0.207529D-01
                31            32            33            34            35 
      1   0.242648D-01  0.323156D+01  0.352045D+01 -0.772575D+01  0.516699D+01
      2  -0.474414D-01 -0.919747D+01 -0.352918D+01  0.774493D+01 -0.517135D+01
      3   0.231766D-01  0.596592D+01  0.873310D-02 -0.191790D-01  0.435455D-02
      4  -0.620726D+01 -0.149196D-01  0.537311D+01  0.519957D+01  0.770678D+01
      5   0.214740D+01  0.329957D+01  0.577256D-01  0.384928D+01 -0.544533D-02
      6   0.330530D+01 -0.216863D+01 -0.328433D+01  0.490547D-02  0.376869D+01
                36            37            38            39            40 
      1  -0.699909D-01 -0.298453D+01  0.116628D+01  0.121679D+01  0.625867D+01
      2  -0.147398D+00 -0.471880D+01 -0.375937D+00 -0.387908D+01 -0.815314D+01
      3   0.217389D+00  0.770333D+01 -0.790344D+00  0.266229D+01  0.189447D+01
      4   0.255527D-02  0.127247D+02 -0.542725D+01 -0.221571D+01 -0.824974D+01
      5  -0.375393D-01 -0.466038D+01  0.255034D+01  0.288557D+01  0.418250D+01
      6   0.277637D-01 -0.113343D+01 -0.101341D+01 -0.490578D+00  0.340677D+00
                41            42            43            44            45 
      1  -0.220808D+02  0.117664D+02  0.178605D+01  0.643300D+01  0.497512D+01
      2   0.232172D+02 -0.129224D+02 -0.763135D+00 -0.643313D+01  0.112592D+02
      3  -0.113634D+01  0.115601D+01 -0.102291D+01  0.136379D-03 -0.162344D+02
      4   0.477034D+01 -0.401621D+01  0.302569D+00 -0.144215D+01  0.326327D+01
      5   0.363371D+01 -0.330411D+00  0.330676D+01  0.574438D+00 -0.138460D+01
      6  -0.135509D+02  0.809030D+01  0.122445D+01  0.560230D+01  0.840843D+01
                46            47            48            49            50 
      1   0.660210D+01  0.116117D+02  0.111141D+02  0.463870D+01  0.161905D+02
      2  -0.817258D+01 -0.616594D+01 -0.877978D+01 -0.188357D+01 -0.212049D+02
      3   0.157048D+01 -0.544575D+01 -0.233428D+01 -0.275513D+01  0.501443D+01
      4   0.111171D+02  0.126023D+02  0.806545D+01  0.847627D+01 -0.983976D+00
      5   0.705243D+01  0.453563D+01  0.642946D+01  0.254318D+01  0.618208D+01
      6   0.922714D+01  0.388284D+01  0.237031D+01  0.464173D+01 -0.280410D+01
                51            52            53            54            55 
      1   0.117976D+01  0.380725D+01  0.236508D+01  0.125207D+02  0.503842D+01
      2  -0.293813D+01 -0.431577D+01 -0.149907D+01  0.372881D+01 -0.563727D+01
      3   0.175837D+01  0.508523D+00 -0.866017D+00 -0.162495D+02  0.598852D+00
      4   0.339884D+01  0.485900D+01  0.133731D+01  0.111487D+01 -0.152499D+02
      5   0.257788D+01  0.582941D+01  0.239800D+00 -0.657778D+01 -0.146705D+02
      6   0.454193D+01  0.881837D+00  0.312332D+01 -0.537179D+01 -0.101193D+02
                56            57            58            59            60 
      1  -0.130794D+02 -0.171071D+02 -0.166615D+02 -0.217412D+02 -0.228186D+01
      2   0.153934D+01  0.714974D+01  0.258843D+01  0.130149D+02 -0.434461D+01
      3   0.115401D+02  0.995736D+01  0.140730D+02  0.872629D+01  0.662647D+01
      4  -0.251748D+02 -0.781764D+01 -0.300288D+02 -0.999427D+01 -0.202829D+02
      5  -0.384155D+01 -0.967885D+01 -0.659325D+01 -0.234332D+02  0.440447D+01
      6  -0.514587D+01 -0.260329D+00 -0.107817D+02 -0.586544D+01 -0.453024D+01
                61            62            63            64            65 
      1  -0.104836D+02  0.508658D+00 -0.616559D+01 -0.495391D+02  0.813766D+01
      2   0.325095D+01 -0.500823D+01  0.210176D+01  0.335427D+02 -0.218184D+01
      3   0.723267D+01  0.449957D+01  0.406383D+01  0.159963D+02 -0.595582D+01
      4  -0.523992D+01 -0.157081D+02  0.127725D+01 -0.599026D+00  0.110453D+02
      5  -0.894992D+01  0.239978D+01  0.277140D+01  0.281073D+02 -0.162635D+01
      6  -0.108152D+01 -0.491222D+01  0.252703D+01  0.111281D+01 -0.480382D+01
                66            67            68            69            70 
      1   0.262295D+02  0.146739D+02  0.173826D+02 -0.841422D+01  0.184713D+02
      2  -0.142919D+02 -0.619253D+01 -0.107038D+02  0.921644D+01 -0.999585D+01
      3  -0.119376D+02 -0.848140D+01 -0.667878D+01 -0.802212D+00 -0.847545D+01
      4   0.389307D+01  0.120345D+02 -0.450933D+01  0.108462D+02  0.983754D-01
      5  -0.578773D+01 -0.722471D+01  0.118500D+02 -0.535645D+01 -0.680562D+01
      6  -0.684563D+00 -0.200350D+01  0.939704D+01 -0.844291D+01 -0.373333D+00
                71            72            73            74            75 
      1  -0.689028D+01 -0.186029D+01  0.213256D+02 -0.189245D+01 -0.109323D+02
      2   0.772752D+01 -0.220382D+01 -0.202030D+02  0.115787D+01  0.101549D+02
      3  -0.837234D+00  0.406411D+01 -0.112263D+01  0.734588D+00  0.777337D+00
      4   0.853820D+01 -0.432833D+01  0.125289D+02 -0.979347D+01 -0.664119D+01
      5  -0.386362D+01 -0.373623D+01 -0.134797D+02 -0.190951D+01  0.813668D+01
      6  -0.704438D+01  0.308301D+00  0.875638D+00  0.491856D+01  0.387067D+00
                76            77            78            79            80 
      1   0.492545D+01 -0.813515D+01 -0.468857D+01 -0.570679D+01 -0.153504D+01
      2  -0.295235D+01  0.422648D+00  0.189305D+01  0.556163D+01  0.256833D+01
      3  -0.197310D+01  0.771250D+01  0.279552D+01  0.145158D+00 -0.103329D+01
      4  -0.541604D+01  0.100690D+02 -0.370987D+01 -0.301832D+01 -0.443425D+00
      5  -0.304298D+01 -0.938476D+00  0.178212D+00  0.536098D+01  0.150064D+01
      6   0.313371D+01 -0.379320D+01  0.286492D+01  0.842824D+00  0.360625D+01
                81            82            83            84            85 
      1   0.103294D+02 -0.457420D+00  0.480816D+01  0.298568D+01  0.722604D+01
      2   0.592891D+01 -0.449356D+01 -0.103208D+02 -0.217102D+00 -0.100241D+02
      3  -0.162584D+02  0.495098D+01  0.551259D+01 -0.276858D+01  0.279809D+01
      4   0.398022D+01 -0.466608D+01  0.120126D+02 -0.102940D+02  0.509484D+01
      5   0.851691D+01  0.235538D+01 -0.902338D+00  0.443548D+01  0.122331D+01
      6  -0.282623D+00 -0.582305D+01  0.780455D+01 -0.233287D+01  0.773289D+01
                86            87            88            89            90 
      1   0.849088D+01  0.732123D+00 -0.108214D+01 -0.469317D+00  0.104734D+02
      2  -0.101181D+02 -0.343271D-01  0.239050D+00 -0.201829D+00  0.578298D+01
      3   0.162720D+01 -0.697796D+00  0.843091D+00  0.671146D+00 -0.162564D+02
      4  -0.209094D+02  0.841378D+01 -0.496179D+01  0.455590D+01 -0.390729D+01
      5   0.738062D+01 -0.250262D+01  0.503821D+01 -0.100938D+01 -0.400022D+01
      6  -0.522678D+01  0.656024D+01 -0.169684D+01  0.391354D+01  0.753287D+01
                91            92            93            94            95 
      1   0.579708D+01 -0.131510D+02 -0.118910D+02 -0.136579D+02 -0.115263D+01
      2   0.145055D+01  0.181298D+02  0.523520D+01  0.211572D+02 -0.154208D+02
      3  -0.724763D+01 -0.497881D+01  0.665582D+01 -0.749928D+01  0.165734D+02
      4  -0.915909D+01 -0.112726D+02  0.783563D+01 -0.162921D+02  0.355795D+02
      5  -0.983761D+01 -0.233467D+01 -0.104209D+02 -0.195294D+01 -0.192808D+02
      6   0.828148D+01 -0.373685D+01  0.272039D+01 -0.996846D+01  0.210952D+02
                96            97            98            99           100 
      1  -0.776583D+01 -0.852626D+01 -0.815215D+01 -0.589994D+01 -0.298982D+02
      2   0.177292D+02  0.358085D+01  0.150830D+02  0.182194D+01  0.121119D+02
      3  -0.996335D+01  0.494540D+01 -0.693082D+01  0.407800D+01  0.177863D+02
      4  -0.180040D+02  0.439433D+01 -0.117443D+02  0.201775D+01  0.340638D+02
      5  -0.200506D+01 -0.883188D+01 -0.808032D+00  0.160471D+01  0.248409D+02
      6  -0.382035D+01  0.271319D+01 -0.501890D+01 -0.341212D+01 -0.153771D+02
               101           102           103           104           105 
      1   0.202999D+02  0.213668D+02  0.159692D+02  0.940011D+01  0.576333D+01
      2  -0.161620D+02 -0.106489D+02 -0.143632D+02 -0.944994D+00 -0.110887D+02
      3  -0.413792D+01 -0.107180D+02 -0.160597D+01 -0.845512D+01  0.532539D+01
      4  -0.537163D+01 -0.151953D+02 -0.963816D+00 -0.110178D+02  0.785635D+01
      5  -0.755814D+01 -0.400618D+01 -0.131818D+01  0.804632D+01  0.354038D+01
      6  -0.415287D+01 -0.115292D+01 -0.372362D+01 -0.960055D+01 -0.102008D+02
               106           107           108           109           110 
      1   0.172889D+02  0.453405D+01  0.117406D+01 -0.116509D+01 -0.107328D+02
      2  -0.978056D+01 -0.854179D+01 -0.521939D+01  0.560338D+00  0.853855D+01
      3  -0.750838D+01  0.400774D+01  0.404532D+01  0.604752D+00  0.219424D+01
      4  -0.899376D+01  0.467604D+01  0.293780D+01 -0.238388D+02  0.122217D+00
      5  -0.533194D+01  0.316236D+01 -0.358770D+01 -0.812332D+01  0.725448D+01
      6  -0.328520D+00 -0.852740D+01  0.115245D+01  0.624776D+01  0.285879D+01
               111           112           113           114           115 
      1  -0.249964D+01 -0.128725D+02 -0.641095D+01  0.225980D+01 -0.152182D+01
      2   0.284021D+01  0.799191D+01  0.424024D+00  0.640636D+00  0.100797D+01
      3  -0.340570D+00  0.488054D+01  0.598692D+01 -0.290043D+01  0.513847D+00
      4   0.934402D+01  0.713072D+01 -0.376781D+01 -0.921473D+01  0.494070D+01
      5   0.715283D+01  0.764039D+01 -0.407106D+01 -0.197348D+01  0.424729D+01
      6  -0.214502D+01  0.766812D+00  0.197060D+01  0.383104D+01 -0.113236D+01
               116           117           118           119           120 
      1   0.133161D+01  0.685060D+01  0.832922D+02 -0.107660D+01 -0.216580D+02
      2  -0.221405D+01  0.938680D+01 -0.480078D+02  0.156945D+01  0.145322D+02
      3   0.882441D+00 -0.162374D+02 -0.352844D+02 -0.492844D+00  0.712583D+01
      4  -0.393544D+01 -0.436251D+01  0.105651D+02  0.797498D+01 -0.250750D+01
      5  -0.176867D+01  0.797927D+01 -0.332594D+02  0.439949D+00  0.186277D+02
      6   0.469355D+01 -0.301989D+01 -0.362137D+01 -0.161963D+01  0.299631D+01
               121           122           123           124           125 
      1  -0.144620D+02  0.744079D+01  0.511817D+01 -0.177778D+02  0.103575D+01
      2   0.100117D+02 -0.412841D+01 -0.472599D+01  0.143150D+02 -0.178187D+01
      3   0.445021D+01 -0.331237D+01 -0.392182D+00  0.346278D+01  0.746118D+00
      4   0.948775D+01 -0.846397D+00 -0.445205D+01 -0.278308D+01 -0.344682D+01
      5   0.633305D+01 -0.574659D+01 -0.273573D+01  0.227998D+02  0.236138D+00
      6  -0.257142D+01 -0.918735D+00  0.275528D+01  0.322726D+01  0.274147D+01
               126           127           128           129           130 
      1   0.135277D+02  0.118673D+01  0.545832D+01 -0.741213D+01  0.445169D+01
      2  -0.110513D+02  0.104976D+00 -0.378748D+01  0.373668D+01 -0.136027D+01
      3  -0.247643D+01 -0.129170D+01 -0.167084D+01  0.367545D+01 -0.309142D+01
      4   0.220055D+01  0.228903D+01  0.742377D-01 -0.138799D+01  0.720735D+01
      5  -0.135656D+02 -0.501909D+01 -0.872195D+00  0.704123D+00 -0.344539D+01
      6  -0.161969D+01 -0.345843D+01  0.277618D+01 -0.191498D+01 -0.217082D+01
               131           132           133           134           135 
      1  -0.133665D+02  0.752247D+01 -0.627747D+01  0.534196D+01 -0.650876D+01
      2   0.182354D+02 -0.646682D+01  0.351240D+01 -0.315832D+01  0.195534D+01
      3  -0.486893D+01 -0.105565D+01  0.276507D+01 -0.218364D+01  0.455343D+01
      4   0.227061D+02 -0.106164D+02 -0.446429D+01 -0.881962D+01  0.815390D+01
      5  -0.106447D+02  0.119915D+02  0.505631D+01  0.860216D+01 -0.107299D+02
      6  -0.169959D+02  0.127141D+02  0.160430D+01  0.112788D+02 -0.110612D+02
               136           137           138           139           140 
      1   0.345064D+02  0.171194D+02  0.101693D+02  0.209489D+02  0.125706D+02
      2  -0.130089D+02 -0.363767D+01 -0.475902D+01 -0.251700D+01  0.452650D+01
      3  -0.214975D+02 -0.134817D+02 -0.541032D+01 -0.184319D+02 -0.170971D+02
      4   0.318155D+02  0.233181D+02  0.974765D+01  0.342621D+02  0.347010D+02
      5   0.184982D+02  0.964325D+01  0.128541D+02  0.137405D+02  0.151822D+02
      6   0.835732D+01  0.584280D+01  0.476075D+01  0.101892D+02  0.117938D+02
               141           142           143           144           145 
      1   0.423616D+01  0.881512D+01  0.255982D+01  0.652575D+01  0.149791D+02
      2   0.414734D+00 -0.561632D+01 -0.104607D+01 -0.405212D+01 -0.100366D+02
      3  -0.465089D+01 -0.319880D+01 -0.151375D+01 -0.247363D+01 -0.494249D+01
      4   0.149359D+02  0.103504D+02  0.107875D+02  0.113035D+02 -0.525543D+01
      5   0.104984D+02  0.170223D+02  0.107364D+02  0.117375D+02  0.123031D+02
      6   0.851725D+01  0.774341D+01  0.851122D+01  0.697687D+01 -0.894580D+00
               146           147           148           149           150 
      1  -0.623432D+01  0.849512D+01 -0.134210D+02  0.840287D+01 -0.347953D+01
      2   0.459946D+01 -0.622112D+01  0.103542D+02 -0.715793D+01  0.654713D+01
      3   0.163485D+01 -0.227401D+01  0.306676D+01 -0.124495D+01 -0.306760D+01
      4   0.773601D+01 -0.179003D+01  0.112325D+02 -0.159093D+02  0.105913D+02
      5  -0.399660D+01  0.100493D+02 -0.906703D+01  0.126043D+02 -0.140493D+02
      6   0.196484D+01 -0.145109D+00  0.430762D+01 -0.578149D+01  0.338741D+01
               151           152           153           154           155 
      1   0.939045D+01 -0.786707D+00  0.452439D+01  0.564849D+01 -0.538271D+01
      2  -0.852050D+01  0.420310D+01 -0.906089D+01  0.395329D+01 -0.501141D+01
      3  -0.869951D+00 -0.341639D+01  0.453651D+01 -0.960179D+01  0.103941D+02
      4  -0.104073D+01  0.724375D+01 -0.618774D+01 -0.176983D+02  0.198478D+02
      5   0.123054D+02 -0.781808D+01  0.152428D+02  0.780935D+01 -0.597878D+01
      6  -0.820162D+00  0.403987D+01 -0.223677D+01 -0.669709D+01  0.495839D+01
               156           157           158           159           160 
      1   0.364946D+01 -0.108435D+01 -0.136253D+02  0.592397D+01  0.157833D+01
      2  -0.422507D+00 -0.142506D+02  0.426295D+02 -0.122929D+02  0.795768D+00
      3  -0.322695D+01  0.153350D+02 -0.290042D+02  0.636891D+01 -0.237410D+01
      4  -0.670632D+01  0.285369D+02 -0.490700D+02  0.156844D+02 -0.808174D+01
      5   0.684122D+01 -0.810243D+01  0.156460D+02 -0.980810D+01  0.926144D+01
      6  -0.407349D+01  0.105386D+02 -0.248221D+02  0.145457D+02 -0.805682D+01
               161           162           163           164           165 
      1   0.539127D+01 -0.299782D+01  0.251842D+02  0.685505D+01  0.106510D+02
      2  -0.801754D+01  0.547383D+01 -0.191586D+02 -0.721190D+01 -0.972750D+01
      3   0.262627D+01 -0.247601D+01 -0.602555D+01  0.356844D+00 -0.923546D+00
      4   0.129903D+02 -0.117463D+02 -0.306518D+01  0.530243D+01 -0.210983D+01
      5  -0.110517D+02  0.819537D+01  0.171110D+02  0.310101D+01  0.140842D+02
      6   0.162849D+02 -0.109395D+02 -0.294137D+01  0.172164D+01 -0.427530D+01
               166           167           168           169           170 
      1   0.145966D+02  0.714050D+01  0.586517D+01  0.890777D+01  0.191120D+01
      2  -0.135400D+02 -0.702250D+01 -0.958707D+01 -0.941922D+01 -0.540819D+01
      3  -0.105655D+01 -0.118001D+00  0.372190D+01  0.511446D+00  0.349699D+01
      4   0.323563D+01  0.375449D+01  0.516548D+01 -0.387749D+01  0.524942D+01
      5   0.867129D+01  0.844139D+01  0.963998D+01  0.141484D+02  0.364936D+01
      6   0.195637D+01 -0.403400D+00 -0.646175D+00 -0.335938D+01  0.219848D+01
               171           172           173           174           175 
      1   0.689909D+01  0.578020D+02 -0.149210D+02 -0.160945D+02 -0.363619D+01
      2  -0.114604D+02 -0.257730D+02  0.256937D+01  0.936568D+01 -0.376230D+01
      3   0.456127D+01 -0.320290D+02  0.123516D+02  0.672877D+01  0.739850D+01
      4  -0.410600D+00 -0.454882D+02  0.220638D+02  0.135576D+02  0.154179D+02
      5   0.149658D+02 -0.285432D+02  0.871979D+01  0.161997D+02  0.290473D+01
      6  -0.376974D+01  0.136870D+02 -0.572598D+01 -0.855429D+01 -0.435220D+01
               176           177           178           179           180 
      1   0.524340D+01 -0.735300D+00 -0.114461D+02  0.142327D+01  0.838788D+01
      2   0.132983D+01  0.308812D+01  0.853775D+01  0.584958D+00 -0.590792D+01
      3  -0.657323D+01 -0.235282D+01  0.290830D+01 -0.200822D+01 -0.247996D+01
      4  -0.118006D+02 -0.524907D+01  0.117248D+02 -0.640624D+01 -0.102255D+02
      5  -0.573311D+01 -0.282056D+01  0.186412D+02 -0.680445D+01 -0.118985D+02
      6   0.538763D+01  0.515973D+01 -0.979635D+01  0.688427D+01  0.666385D+01
               181           182           183           184           185 
      1  -0.501569D+01 -0.122284D+02 -0.939529D+01 -0.668910D+01 -0.203377D+02
      2   0.515700D+01  0.125160D+02  0.559965D+01  0.553806D+01  0.263902D+02
      3  -0.141305D+00 -0.287668D+00  0.379565D+01  0.115104D+01 -0.605254D+01
      4   0.123480D+01  0.771808D+00  0.355921D+01  0.465594D+01 -0.825189D+01
      5  -0.184186D+01  0.124196D+01 -0.109349D+01  0.175754D+01 -0.483687D+01
      6   0.686666D+01  0.756187D+01  0.760977D+01  0.200467D+01  0.180332D+02
               186           187           188           189           190 
      1  -0.101438D+02 -0.551626D+01 -0.889878D+01 -0.110226D+02 -0.198599D+01
      2   0.105826D+02  0.212201D+01  0.794637D+01  0.648196D+01  0.150026D+02
      3  -0.438793D+00  0.339425D+01  0.952409D+00  0.454067D+01 -0.130166D+02
      4  -0.426950D+01  0.489645D+01 -0.555464D+01 -0.279298D+01  0.258414D+02
      5  -0.629626D+01  0.237174D+01 -0.492085D+01 -0.569555D+01  0.797540D+01
      6   0.145355D+02  0.207603D+01  0.139829D+02  0.143280D+02  0.133689D+02
               191           192           193           194           195 
      1  -0.856895D+01 -0.245086D+01 -0.689892D+01 -0.228383D+02 -0.742788D+01
      2   0.258699D+02  0.634830D+01  0.192597D+02  0.484055D+02  0.134017D+02
      3  -0.173010D+02 -0.389744D+01 -0.123608D+02 -0.255671D+02 -0.597384D+01
      4   0.302002D+02  0.128339D+02  0.199945D+02  0.311685D+02  0.924474D+01
      5   0.858555D+01  0.661608D+01  0.481398D+01  0.760334D+01  0.394268D+01
      6   0.141618D+02  0.968153D+01  0.953472D+01  0.226929D+02  0.147756D+02
               196           197           198           199           200 
      1  -0.270030D+01 -0.848914D+01 -0.681011D+01 -0.406623D+01  0.757885D+01
      2   0.378473D+01  0.118565D+02  0.928467D+01  0.597098D+01 -0.110294D+02
      3  -0.108443D+01 -0.336731D+01 -0.247456D+01 -0.190475D+01  0.345058D+01
      4   0.880459D+01  0.936010D+01  0.954366D+01 -0.201837D+02  0.123484D+02
      5   0.625927D+01  0.632384D+01  0.538128D+01 -0.833746D+01  0.468045D+01
      6   0.931632D+01  0.192838D+02  0.125596D+02  0.133161D+02 -0.825353D+01
               201           202           203           204           205 
      1   0.431462D+01  0.295794D+01 -0.687447D+01 -0.497571D+01  0.325619D+01
      2  -0.155816D+01 -0.498351D+01  0.111209D+02  0.763161D+01  0.244385D-01
      3  -0.275647D+01  0.202556D+01 -0.424647D+01 -0.265589D+01 -0.328063D+01
      4   0.119081D+02  0.730121D+01 -0.550265D+01 -0.209875D+01  0.801439D+01
      5   0.535129D+01  0.168977D+01 -0.154667D+01 -0.764819D+00  0.530737D+01
      6  -0.146707D+02 -0.354530D+01  0.104742D+02  0.807769D+01 -0.874570D+01
               206           207           208           209           210 
      1  -0.758504D+01 -0.722843D+01 -0.533653D+01  0.128359D+02 -0.527727D+01
      2   0.889209D+01  0.267089D+01  0.971570D+01 -0.213802D+02  0.659750D+01
      3  -0.130705D+01  0.455754D+01 -0.437917D+01  0.854432D+01 -0.132023D+01
      4  -0.229647D+01 -0.773999D+01 -0.505335D+01  0.125856D+02 -0.582586D+01
      5  -0.174563D+01 -0.421679D+01  0.512565D+00 -0.341044D+01  0.299208D+01
      6   0.110382D+02  0.148377D+02 -0.708871D+01  0.941728D+01 -0.479882D+01
               211           212           213           214           215 
      1   0.516010D+01 -0.468797D+02  0.139781D+02 -0.272712D+01  0.142394D+02
      2  -0.875704D+01  0.811200D+02 -0.209914D+02  0.244097D+01 -0.177690D+02
      3   0.359694D+01 -0.342403D+02  0.701326D+01  0.286147D+00  0.352957D+01
      4   0.828622D+01 -0.413046D+01  0.152524D+01 -0.385421D+01  0.983192D+00
      5  -0.169488D+01  0.931950D-01  0.930505D+00  0.263436D+01  0.563206D+00
      6   0.370282D+01 -0.321427D+02  0.183661D+02 -0.242698D+01  0.228852D+02
               216           217           218           219           220 
      1  -0.111876D+02  0.124570D+02 -0.144411D+01 -0.394828D+01 -0.193841D+01
      2   0.136685D+02 -0.825638D+01  0.493244D+01  0.546556D+01  0.400188D+01
      3  -0.248086D+01 -0.420060D+01 -0.348834D+01 -0.151728D+01 -0.206348D+01
      4  -0.106668D+01  0.249648D+02  0.925526D+01 -0.119766D+02  0.189820D+01
      5   0.172571D+00 -0.153920D+02 -0.336797D+01  0.112037D+02  0.119285D+01
      6  -0.136354D+02 -0.121073D+02 -0.459836D+01  0.133877D+02 -0.138070D+01
               221           222           223           224           225 
      1  -0.118785D+01  0.342619D+01 -0.129938D+01  0.439333D+01 -0.307929D+00
      2   0.316973D+01 -0.693367D+01  0.382156D+01 -0.685245D+01 -0.423488D+01
      3  -0.198187D+01  0.350748D+01 -0.252218D+01  0.245912D+01  0.454281D+01
      4   0.317731D+01 -0.147631D+01 -0.914343D+01 -0.428858D+01  0.897532D+01
      5  -0.283732D+01 -0.516819D+00  0.984929D+01  0.223558D+01 -0.956335D+01
      6  -0.612539D+01  0.223487D+01  0.923665D+01  0.650189D+01 -0.120959D+02
               226           227           228           229           230 
      1   0.124405D+02  0.179741D+01 -0.149162D+01 -0.220039D+01  0.209938D+01
      2  -0.401192D+01 -0.768481D+01  0.545125D+00 -0.156219D+01  0.284859D+01
      3  -0.842859D+01  0.588740D+01  0.946493D+00  0.376258D+01 -0.494797D+01
      4  -0.238443D+02  0.108527D+02 -0.437067D+01  0.908753D+01 -0.709916D+01
      5   0.109556D+02 -0.484364D+01  0.455351D+01 -0.243915D+01  0.136874D+01
      6  -0.380963D+01  0.678170D+01 -0.553016D+01  0.150935D+01  0.386183D-01
               231           232           233           234           235 
      1  -0.122779D+01 -0.103189D+01 -0.357100D+01  0.135722D+01 -0.651491D+00
      2   0.124223D+01 -0.174345D+01  0.622365D+01 -0.331353D+01 -0.221243D+01
      3  -0.144426D-01  0.277534D+01 -0.265266D+01  0.195630D+01  0.286392D+01
      4   0.143957D+01  0.215260D+01 -0.497309D+00 -0.320316D+01 -0.120532D+01
      5  -0.132107D+01  0.224992D+01 -0.683759D+00  0.185655D+01  0.164288D+01
      6   0.125282D+01 -0.263504D+01 -0.657180D+00 -0.501445D+00 -0.245435D+01
               236           237           238           239           240 
      1  -0.299182D+01  0.193552D+01 -0.181361D+01  0.998204D+00 -0.157564D+01
      2   0.295374D+01 -0.667433D+00  0.113700D+01 -0.377078D+01 -0.319516D+01
      3   0.380837D-01 -0.126809D+01  0.676614D+00  0.277258D+01  0.477080D+01
      4   0.247151D+01 -0.307769D+01  0.298468D+00 -0.135756D+00  0.575240D-01
      5  -0.955067D+00  0.514892D+01 -0.139468D+00 -0.116575D+01  0.108161D+01
      6  -0.114886D+01  0.102944D+01 -0.853396D+00  0.484654D+00  0.124408D+01
               241           242           243           244           245 
      1  -0.110228D+01  0.650758D+01 -0.172145D+02  0.295988D+02 -0.200444D+01
      2  -0.324935D+01 -0.380729D+01 -0.193589D+02 -0.182514D+02  0.524885D+01
      3   0.435163D+01 -0.270029D+01  0.365734D+02 -0.113475D+02 -0.324441D+01
      4  -0.382664D+01  0.224541D+00 -0.340228D+01  0.162858D+02  0.647915D+01
      5   0.438189D+01 -0.104709D+01  0.575210D+01  0.135457D+02  0.195655D+01
      6  -0.364521D+01  0.773004D+01 -0.235021D+02  0.104372D+01  0.373447D+01
               246           247           248           249           250 
      1   0.245887D+01 -0.711316D+00  0.453243D+01  0.102780D+01 -0.178478D+01
      2  -0.333652D+01  0.183330D+01 -0.248017D+01 -0.670503D+00 -0.179772D+01
      3   0.877649D+00 -0.112199D+01 -0.205226D+01 -0.357296D+00  0.358250D+01
      4   0.356042D+01  0.164539D+01  0.374561D-01 -0.132502D+01 -0.311570D+01
      5   0.647510D+01 -0.226524D+01 -0.743323D+00 -0.852490D+00  0.298116D+01
      6   0.335762D+01 -0.213148D+00 -0.229231D+01 -0.694195D+00  0.111579D+01
               251           252           253           254           255 
      1   0.268661D+01  0.293886D+01  0.197031D+01  0.321604D+01  0.415360D+01
      2  -0.408031D+01 -0.488082D+01 -0.456327D+01 -0.325383D+01 -0.116615D+01
      3   0.139371D+01  0.194197D+01  0.259296D+01  0.377885D-01 -0.298744D+01
      4  -0.284067D+01  0.607727D+00 -0.386670D+00 -0.838231D+00  0.139647D+01
      5  -0.841656D+00  0.189123D+01  0.200471D+01 -0.902702D+00  0.383560D+01
      6  -0.139753D+01 -0.274128D+00  0.598863D+00 -0.167042D+01 -0.208402D+01
               256           257           258           259           260 
      1   0.941714D+00 -0.160237D+01  0.295111D+00 -0.657789D+00 -0.495770D+01
      2  -0.336019D+00 -0.143490D+01  0.363564D+01 -0.440524D+01  0.413342D+01
      3  -0.605694D+00  0.303727D+01 -0.393075D+01  0.506303D+01  0.824285D+00
      4  -0.133037D+01 -0.886118D+00  0.847380D-01  0.325730D+01  0.277220D+01
      5  -0.154630D+01 -0.805274D+00 -0.215236D+01  0.653736D+01  0.154255D+01
      6  -0.109105D+01  0.104737D+01  0.256306D+01  0.414784D+01  0.557971D+01
               261           262           263           264           265 
      1  -0.151163D+02  0.222957D+02  0.869608D+01 -0.243953D+01  0.138095D+02
      2  -0.214545D+02 -0.123110D+02 -0.583673D+01  0.293161D+01 -0.882491D+01
      3   0.365708D+02 -0.998470D+01 -0.285935D+01 -0.492074D+00 -0.498457D+01
      4   0.165461D+01  0.984773D+01  0.101346D+02 -0.221197D+01  0.662793D+01
      5   0.143156D+02 -0.735527D+01 -0.335405D+01  0.504065D+01 -0.911634D+01
      6   0.194993D+02 -0.373978D+01 -0.358484D+01  0.103110D+01 -0.303410D+01
               266           267           268           269           270 
      1   0.720562D+01 -0.300309D+01  0.534351D+01  0.861388D+00  0.624153D+00
      2  -0.382493D+01  0.381570D+01 -0.166264D+01  0.218431D+00 -0.257559D+01
      3  -0.338068D+01 -0.812607D+00 -0.368087D+01 -0.107982D+01  0.195143D+01
      4   0.124711D+02 -0.242679D+00 -0.309002D+01  0.266800D+01  0.362760D+01
      5  -0.206861D+01  0.525819D+01  0.150734D+01  0.306924D+01 -0.135673D+01
      6  -0.506866D+01  0.762387D+00  0.111201D+01  0.105519D+00 -0.136344D+01
               271           272           273           274           275 
      1  -0.179809D+01  0.454261D+00 -0.379070D+01  0.126397D+01 -0.143337D+01
      2  -0.674146D+00  0.461879D-02 -0.986623D+00 -0.144930D+01 -0.170955D+01
      3   0.247224D+01 -0.458880D+00  0.477732D+01  0.185331D+00  0.314292D+01
      4   0.418248D+01 -0.243093D+00 -0.753119D+00  0.213883D+01 -0.778962D+00
      5   0.534322D+00 -0.133870D+01  0.129338D+01 -0.148951D+01 -0.246865D+01
      6  -0.318620D+00 -0.477072D+00  0.114097D+01 -0.133056D+01  0.893104D+00
               276           277           278           279           280 
      1  -0.879165D+00 -0.153745D+01  0.180256D+00 -0.158848D+02 -0.464634D+01
      2   0.216095D+01  0.604091D+01  0.222572D+01 -0.206900D+02  0.711990D+01
      3  -0.128179D+01 -0.450345D+01 -0.240598D+01  0.365748D+02 -0.247356D+01
      4  -0.264118D+01  0.234797D+01 -0.463298D+01  0.262525D+01  0.898837D+01
      5   0.118666D+01  0.891587D+01  0.101652D+01 -0.232086D+02 -0.404926D+01
      6   0.508581D+01 -0.157413D+01  0.319282D+01  0.677552D+01 -0.106346D+01
               281           282           283           284           285 
      1  -0.887491D+01  0.326023D+01 -0.695861D+01 -0.165566D+02  0.385372D+01
      2   0.128789D+02 -0.251426D+01  0.882972D+01  0.274977D+02 -0.327121D+01
      3  -0.400396D+01 -0.745972D+00 -0.187111D+01 -0.109411D+02 -0.582511D+00
      4   0.399157D+01  0.851533D+00  0.841186D+01  0.659006D+01 -0.132803D+01
      5  -0.198430D+01  0.125001D-01 -0.327854D+01 -0.341905D+01  0.364778D+00
      6  -0.850944D+01  0.457625D+01 -0.289225D+01 -0.937728D+01  0.575895D+01
               286           287           288           289           290 
      1  -0.392847D+00 -0.831840D+00 -0.345672D+01 -0.127409D+01 -0.189627D+01
      2   0.975712D+00  0.464085D+01  0.151845D+01 -0.190159D+01  0.162908D+01
      3  -0.582865D+00 -0.380901D+01  0.193827D+01  0.317568D+01  0.267196D+00
      4   0.299114D+01 -0.352688D+01  0.308213D+01 -0.873672D+00  0.103137D+01
      5  -0.428662D+00  0.848594D+00 -0.117512D+01  0.135687D+01 -0.897800D+00
      6   0.280522D+01  0.201212D+01 -0.150384D+01 -0.189989D+01 -0.197205D+01
               291           292           293           294           295 
      1   0.289575D+01  0.149013D+00 -0.203861D+01 -0.447252D+00  0.268763D+01
      2  -0.970640D+00  0.227780D+00 -0.419240D+00 -0.408472D+01 -0.856213D+00
      3  -0.192511D+01 -0.376793D+00  0.245785D+01  0.453198D+01 -0.183142D+01
      4  -0.209952D+01 -0.958611D+00  0.428047D+01 -0.641433D+00 -0.460918D+01
      5   0.471060D+01 -0.730526D-01 -0.540295D+00  0.157224D+01  0.334902D+01
      6   0.165646D+01 -0.169671D+01  0.213910D-01  0.169367D+01  0.304461D+00
               296           297           298           299           300 
      1   0.572884D+01 -0.213125D+02 -0.333362D+01  0.379313D+01  0.246154D+00
      2  -0.917050D+00 -0.152432D+02  0.497094D+01 -0.394869D+01  0.213788D+00
      3  -0.481179D+01  0.365557D+02 -0.163733D+01  0.155560D+00 -0.459942D+00
      4   0.266569D+01  0.192255D+01 -0.190512D+01  0.428225D+00 -0.183234D+01
      5  -0.231113D+01  0.971690D+01 -0.262656D+01 -0.155776D+00 -0.887305D+00
      6   0.877695D+01 -0.221720D+02 -0.797236D+00 -0.417969D+01 -0.182907D+01
               301           302           303           304           305 
      1   0.587433D+01 -0.207186D+02 -0.418927D+01 -0.305702D+01 -0.142951D+01
      2  -0.389934D+01  0.324421D+02  0.336614D+01  0.214560D+01 -0.229241D+01
      3  -0.197499D+01 -0.117234D+02  0.823129D+00  0.911425D+00  0.372192D+01
      4   0.567541D+01  0.105384D+02  0.247786D+01 -0.319924D+01 -0.344335D+01
      5   0.319797D+01 -0.286947D+00  0.238915D+01 -0.135935D+01  0.547148D+00
      6   0.532129D+00  0.133778D+02  0.669390D+01 -0.141219D+01  0.295771D+01
               306           307           308           309           310 
      1  -0.491811D+01 -0.887685D+00  0.473932D+00  0.371262D+01 -0.247461D+01
      2   0.296506D+01 -0.220876D+01  0.627918D-01 -0.212668D+00  0.237708D+01
      3   0.195305D+01  0.309644D+01 -0.536724D+00 -0.349996D+01  0.975353D-01
      4  -0.420800D+00 -0.458472D+00 -0.134309D+01  0.420899D+00 -0.155336D+01
      5  -0.501528D+00  0.143150D+01 -0.735116D+00  0.313321D+01 -0.140254D+01
      6   0.185481D+01 -0.260280D+00 -0.198366D+01 -0.224472D+01 -0.142682D+01
               311           312           313           314           315 
      1  -0.466796D+01 -0.941397D+00  0.390178D+01 -0.468312D+01 -0.217599D+02
      2   0.214910D+01  0.444508D+01 -0.406484D+01 -0.412129D+00 -0.148161D+02
      3   0.251886D+01 -0.350368D+01  0.163058D+00  0.509524D+01  0.365760D+02
      4  -0.162716D+01  0.723668D+00  0.346995D+01  0.313928D+01  0.762233D+00
      5   0.262058D-01 -0.220691D+01  0.486176D+01  0.390971D+01  0.174714D+02
      6   0.163702D+01  0.324213D+01  0.132198D+01  0.723496D+01  0.166945D+02
               316           317           318           319           320 
      1   0.648430D+01 -0.340893D+01  0.603157D+00 -0.981120D+01  0.644180D+00
      2  -0.214344D+00 -0.645540D+00 -0.478357D+00  0.363164D+01  0.647936D+01
      3  -0.626996D+01  0.405447D+01 -0.124799D+00  0.617956D+01 -0.712354D+01
      4  -0.943323D+01  0.109402D+02  0.220845D+01  0.113439D+02 -0.225015D+02
      5  -0.141027D+01  0.231469D+01  0.218423D+01  0.785434D+01 -0.393465D+01
      6   0.230855D+01 -0.328871D+01 -0.162958D+01 -0.496971D+01  0.942868D+01
               321           322           323           324           325 
      1   0.173204D+01  0.642649D+01 -0.147268D+01 -0.239621D+01 -0.402349D+01
      2  -0.266651D+01 -0.343295D+01 -0.933335D+00  0.449374D+00  0.134553D+01
      3   0.934471D+00 -0.299355D+01  0.240601D+01  0.194684D+01  0.267795D+01
      4  -0.369627D+01  0.525415D+00  0.207984D+01 -0.369993D+01 -0.126296D+01
      5  -0.583368D+01 -0.170864D+00 -0.295248D+01 -0.731749D+00  0.808864D+00
      6   0.360266D+01 -0.100021D+01  0.177272D+01  0.178108D+01 -0.873661D+00
               326           327           328           329           330 
      1   0.734537D+00 -0.318067D+01  0.191634D+01 -0.147611D+01 -0.232080D+00
      2  -0.138795D+01 -0.172720D+01 -0.192952D+01 -0.147031D+01  0.870470D+00
      3   0.653416D+00  0.490787D+01  0.131846D-01  0.294642D+01 -0.638390D+00
      4   0.684727D+00  0.285983D+00  0.317852D+01 -0.854193D+00 -0.330000D+01
      5  -0.370525D+00  0.103809D+01 -0.550030D+00 -0.283280D+01  0.481384D+00
      6  -0.545043D+00  0.533297D+00 -0.139178D+01  0.108536D+01  0.534829D+01
               331           332           333 
      1  -0.336651D+01 -0.268229D+01 -0.184413D+02
      2   0.660908D+01 -0.127926D+01 -0.181309D+02
      3  -0.324257D+01  0.396155D+01  0.365722D+02
      4  -0.588505D+00 -0.408679D+01 -0.356617D+01
      5   0.828091D+01 -0.313233D+01 -0.240440D+02
      6  -0.534385D+00  0.383432D+01  0.262940D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Fri Jul 23 00:50:13 2021, MaxMem=  5637144576 cpu:          117466.3 elap:           14718.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -14.79352 -14.79351 -14.79351 -14.79350 -14.79350
 Alpha  occ. eigenvalues --  -14.79349 -10.61781 -10.61780 -10.61780 -10.61755
 Alpha  occ. eigenvalues --  -10.61755 -10.61755  -3.71526  -2.46865  -2.46865
 Alpha  occ. eigenvalues --   -2.46462  -1.37115  -1.35999  -1.35998  -1.33550
 Alpha  occ. eigenvalues --   -1.33549  -1.33513  -1.15567  -1.15386  -1.15386
 Alpha  occ. eigenvalues --   -1.03882  -1.03881  -1.02852  -0.96546  -0.96163
 Alpha  occ. eigenvalues --   -0.96162  -0.95996  -0.94054  -0.94053  -0.93512
 Alpha  occ. eigenvalues --   -0.93490  -0.93490  -0.87405  -0.87404  -0.86500
 Alpha  occ. eigenvalues --   -0.86014  -0.85814  -0.85813  -0.83857  -0.82818
 Alpha  occ. eigenvalues --   -0.82818  -0.79180  -0.79179  -0.78606  -0.77315
 Alpha  occ. eigenvalues --   -0.77314  -0.76785  -0.75180  -0.74230  -0.74230
 Alpha  occ. eigenvalues --   -0.71309  -0.71308  -0.71075
 Alpha virt. eigenvalues --   -0.47975  -0.47970  -0.41225  -0.38901  -0.38232
 Alpha virt. eigenvalues --   -0.38231  -0.34489  -0.34415  -0.34414  -0.32730
 Alpha virt. eigenvalues --   -0.32729  -0.32394  -0.30756  -0.30756  -0.29392
 Alpha virt. eigenvalues --   -0.28941  -0.28940  -0.28193  -0.27580  -0.27580
 Alpha virt. eigenvalues --   -0.27529  -0.26285  -0.25793  -0.25789  -0.24812
 Alpha virt. eigenvalues --   -0.24811  -0.23496  -0.23495  -0.23275  -0.23273
 Alpha virt. eigenvalues --   -0.22894  -0.21681  -0.21608  -0.21094  -0.21093
 Alpha virt. eigenvalues --   -0.20020  -0.19854  -0.19851  -0.19381  -0.19378
 Alpha virt. eigenvalues --   -0.19033  -0.19031  -0.18895  -0.18689  -0.17919
 Alpha virt. eigenvalues --   -0.17304  -0.17011  -0.17010  -0.15666  -0.15590
 Alpha virt. eigenvalues --   -0.14207  -0.14170  -0.14168  -0.13147  -0.13049
 Alpha virt. eigenvalues --   -0.12912  -0.12910  -0.12039  -0.12038  -0.10548
 Alpha virt. eigenvalues --   -0.10547  -0.10352  -0.10310  -0.09569  -0.09568
 Alpha virt. eigenvalues --   -0.08617  -0.08616  -0.07206  -0.07107  -0.06954
 Alpha virt. eigenvalues --   -0.06952  -0.06098  -0.06098  -0.05982  -0.05786
 Alpha virt. eigenvalues --   -0.05310  -0.05309  -0.05017  -0.05014  -0.04470
 Alpha virt. eigenvalues --   -0.04015  -0.03934  -0.03933  -0.03276  -0.02681
 Alpha virt. eigenvalues --   -0.02680  -0.01570  -0.01567  -0.01494  -0.00859
 Alpha virt. eigenvalues --   -0.00858  -0.00150  -0.00147   0.00641   0.00642
 Alpha virt. eigenvalues --    0.01081   0.01284   0.01287   0.01479   0.02255
 Alpha virt. eigenvalues --    0.02767   0.03219   0.03376   0.03379   0.04015
 Alpha virt. eigenvalues --    0.04016   0.04105   0.04997   0.05293   0.05296
 Alpha virt. eigenvalues --    0.06050   0.06052   0.06130   0.06177   0.06189
 Alpha virt. eigenvalues --    0.06194   0.07052   0.07228   0.07479   0.07481
 Alpha virt. eigenvalues --    0.08236   0.08546   0.08548   0.10014   0.10015
 Alpha virt. eigenvalues --    0.10101   0.10103   0.10421   0.11867   0.11869
 Alpha virt. eigenvalues --    0.12439   0.12440   0.12786   0.13651   0.13653
 Alpha virt. eigenvalues --    0.14120   0.14548   0.14887   0.14891   0.15698
 Alpha virt. eigenvalues --    0.15946   0.15948   0.16010   0.17281   0.17592
 Alpha virt. eigenvalues --    0.17598   0.17718   0.18564   0.18565   0.18807
 Alpha virt. eigenvalues --    0.18810   0.19785   0.19786   0.20739   0.21594
 Alpha virt. eigenvalues --    0.21597   0.22666   0.23316   0.23862   0.23864
 Alpha virt. eigenvalues --    0.24198   0.24359   0.25106   0.25208   0.25208
 Alpha virt. eigenvalues --    0.26878   0.26881   0.27522   0.27523   0.28037
 Alpha virt. eigenvalues --    0.28426   0.28636   0.29247   0.29249   0.30010
 Alpha virt. eigenvalues --    0.30012   0.30537   0.31251   0.31254   0.31864
 Alpha virt. eigenvalues --    0.31866   0.32126   0.32215   0.32216   0.32354
 Alpha virt. eigenvalues --    0.32356   0.33557   0.33558   0.33659   0.33808
 Alpha virt. eigenvalues --    0.34356   0.34358   0.35402   0.35637   0.35640
 Alpha virt. eigenvalues --    0.35995   0.36456   0.36476   0.36610   0.36611
 Alpha virt. eigenvalues --    0.37662   0.37665   0.38799   0.39035   0.39761
 Alpha virt. eigenvalues --    0.39764   0.40594   0.40595   0.40990   0.40994
 Alpha virt. eigenvalues --    0.41427   0.42290   0.42683   0.43884   0.43887
 Alpha virt. eigenvalues --    0.45956   0.45964   0.47380   0.47396   0.47808
 Alpha virt. eigenvalues --    0.47941   0.48036   0.48037   0.50046   0.50047
 Alpha virt. eigenvalues --    0.50325   0.50561   0.50567   0.51438   0.51445
 Alpha virt. eigenvalues --    0.52789   0.53121   0.53123   0.53315   0.54304
 Alpha virt. eigenvalues --    0.55909   0.56936   0.56940   0.58615   0.59738
 Alpha virt. eigenvalues --    0.59743   0.60006   0.61043   0.61045   0.62172
 Alpha virt. eigenvalues --    0.62175   0.63972   0.63972   0.64505   0.65148
 Alpha virt. eigenvalues --    0.66474   0.66487   0.69154   0.69980   0.69988
 Alpha virt. eigenvalues --    0.71094   0.71997   0.71999   0.72661   0.73211
 Alpha virt. eigenvalues --    0.75209   0.75217   0.76602   0.78644   0.78647
 Alpha virt. eigenvalues --    0.79256   0.79266   0.80053   0.80057   0.80514
 Alpha virt. eigenvalues --    0.84123   0.85984   0.86056   0.86059   0.87714
 Alpha virt. eigenvalues --    0.89441   0.89446   0.90018   0.90559   0.90562
 Alpha virt. eigenvalues --    0.92853   0.92860   0.94524   0.94526   0.96348
 Alpha virt. eigenvalues --    0.96637   0.97903   0.97906   1.00822   1.01011
 Alpha virt. eigenvalues --    1.02735   1.02739   1.03445   1.03448   1.06580
 Alpha virt. eigenvalues --    1.07715   1.07718   1.08653   1.11871   1.12384
 Alpha virt. eigenvalues --    1.12394   1.13233   1.13847   1.13855   1.14272
 Alpha virt. eigenvalues --    1.14285   1.17120   1.17553   1.19170   1.19177
 Alpha virt. eigenvalues --    1.24186   1.24192   1.29006   1.29007   1.29613
 Alpha virt. eigenvalues --    1.29938   1.32540   1.35005   1.35013   1.36977
 Alpha virt. eigenvalues --    1.36977   1.39268   1.40147   1.40414   1.40420
 Alpha virt. eigenvalues --    1.41005   1.43069   1.43075   1.44069   1.45033
 Alpha virt. eigenvalues --    1.45038   1.47038   1.47040   1.47833   1.49817
 Alpha virt. eigenvalues --    1.49823   1.50359   1.50364   1.51825   1.52603
 Alpha virt. eigenvalues --    1.52608   1.53428   1.55121   1.55396   1.56493
 Alpha virt. eigenvalues --    1.56494   1.60916   1.61812   1.62073   1.62079
 Alpha virt. eigenvalues --    1.64272   1.64275   1.65419   1.65949   1.65952
 Alpha virt. eigenvalues --    1.68352   1.69372   1.69376   1.70893   1.70898
 Alpha virt. eigenvalues --    1.72393   1.72628   1.74152   1.74164   1.75488
 Alpha virt. eigenvalues --    1.75500   1.75504   1.80729   1.81033   1.81037
 Alpha virt. eigenvalues --    1.85505   1.85513   1.85517   1.87040   1.88994
 Alpha virt. eigenvalues --    1.88996   1.89743   1.89748   1.89940   1.90146
 Alpha virt. eigenvalues --    1.90156   1.92991   1.93938   1.94256   1.94261
 Alpha virt. eigenvalues --    1.96538   1.96545   1.98388   1.99823   1.99826
 Alpha virt. eigenvalues --    2.00147   2.00698   2.00702   2.01099   2.04309
 Alpha virt. eigenvalues --    2.04520   2.04530   2.06661   2.06667   2.07212
 Alpha virt. eigenvalues --    2.09231   2.09234   2.10125   2.14431   2.15666
 Alpha virt. eigenvalues --    2.15669   2.16494   2.16504   2.18143   2.20297
 Alpha virt. eigenvalues --    2.20577   2.20583   2.22630   2.24295   2.25059
 Alpha virt. eigenvalues --    2.25063   2.25419   2.25424   2.26770   2.26777
 Alpha virt. eigenvalues --    2.27722   2.28438   2.29799   2.29809   2.32117
 Alpha virt. eigenvalues --    2.35449   2.35547   2.35551   2.36535   2.36537
 Alpha virt. eigenvalues --    2.37896   2.38588   2.38593   2.41158   2.41168
 Alpha virt. eigenvalues --    2.43703   2.44862   2.45642   2.45649   2.47498
 Alpha virt. eigenvalues --    2.47677   2.47689   2.48448   2.50635   2.51715
 Alpha virt. eigenvalues --    2.51720   2.53085   2.53090   2.56833   2.60074
 Alpha virt. eigenvalues --    2.60082   2.60771   2.61679   2.62821   2.62825
 Alpha virt. eigenvalues --    2.64572   2.64577   2.67500   2.67693   2.68832
 Alpha virt. eigenvalues --    2.68836   2.72976   2.72978   2.73536   2.73550
 Alpha virt. eigenvalues --    2.73715   2.74593   2.78450   2.78460   2.81302
 Alpha virt. eigenvalues --    2.81310   2.81678   2.81722   2.87621   2.87632
 Alpha virt. eigenvalues --    2.90233   2.90300   2.90304   2.92041   2.92072
 Alpha virt. eigenvalues --    2.92082   2.92229   2.92232   2.93474   2.96556
 Alpha virt. eigenvalues --    2.96876   2.96888   2.99024   3.00336   3.00403
 Alpha virt. eigenvalues --    3.00409   3.01196   3.01201   3.03623   3.05104
 Alpha virt. eigenvalues --    3.05310   3.05314   3.06438   3.06749   3.06754
 Alpha virt. eigenvalues --    3.09115   3.09406   3.09411   3.10968   3.10969
 Alpha virt. eigenvalues --    3.16141   3.17431   3.17434   3.19504   3.19507
 Alpha virt. eigenvalues --    3.22366   3.22397   3.22401   3.22524   3.29825
 Alpha virt. eigenvalues --    3.33003   3.33659   3.33662   3.33994   3.34008
 Alpha virt. eigenvalues --    3.42811   3.45489   3.45493   3.47204   3.50993
 Alpha virt. eigenvalues --    3.51005   3.52832   3.55119   3.56729   3.56735
 Alpha virt. eigenvalues --    3.57205   3.57213   3.66022   3.66577   3.66583
 Alpha virt. eigenvalues --    3.70546   3.70909   3.70917   3.75225   3.76876
 Alpha virt. eigenvalues --    3.76879   3.80154   3.80698   3.80704   3.88899
 Alpha virt. eigenvalues --    3.91447   3.91451   3.91770   3.91772   3.91835
 Alpha virt. eigenvalues --    3.93857   3.98913   3.98922   3.99320   4.01177
 Alpha virt. eigenvalues --    4.01184   4.01903   4.04108   4.04117   4.13192
 Alpha virt. eigenvalues --    4.13198   4.14168   4.15046   4.17717   4.17724
 Alpha virt. eigenvalues --    4.29429   4.32354   4.32360   4.35699   4.36570
 Alpha virt. eigenvalues --    4.36572   4.43537   4.43543   4.45232   4.47423
 Alpha virt. eigenvalues --    4.47427   4.48877   4.48881   4.49128   4.49828
 Alpha virt. eigenvalues --    4.53702   4.53708   4.55544   4.56638   4.58225
 Alpha virt. eigenvalues --    4.58228   4.58377   4.64358   4.64363   4.64857
 Alpha virt. eigenvalues --    4.69684   4.69686   4.72673   4.74650   4.74657
 Alpha virt. eigenvalues --    4.77296   4.78312   4.78317   4.80038   4.87142
 Alpha virt. eigenvalues --    4.87456   4.87461   4.90483   4.92182   4.92185
 Alpha virt. eigenvalues --    4.92360   4.92370   4.92634   4.92641   4.95244
 Alpha virt. eigenvalues --    5.06212   5.08301   5.12773   5.12784   5.18389
 Alpha virt. eigenvalues --    5.18398   5.18477   5.24339   5.24346   5.27291
 Alpha virt. eigenvalues --    5.27293   5.28118   5.47191   5.49364   5.49370
 Alpha virt. eigenvalues --    5.51148   5.51154   5.52933  22.21010  22.26486
 Alpha virt. eigenvalues --   22.26490  22.29719  22.30881  22.30886  30.46046
 Alpha virt. eigenvalues --   31.90919  32.03267  32.03270  32.03695  32.12931
 Alpha virt. eigenvalues --   32.12934 100.11646
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.814208  -0.064919   0.000894  -0.053961   0.202567   0.004189
     2  C   -0.064919   5.814131   0.202441  -0.053982   0.000818  -0.000922
     3  N    0.000894   0.202441   6.688003  -0.023760  -0.078873  -0.009103
     4  Rh  -0.053961  -0.053982  -0.023760  17.371078  -0.023381  -0.024135
     5  N    0.202567   0.000818  -0.078873  -0.023381   6.687744  -0.017921
     6  N    0.004189  -0.000922  -0.009103  -0.024135  -0.017921   6.688614
     7  C    0.001620   0.001721  -0.000944  -0.053802   0.006483   0.202446
     8  C   -0.001235   0.001635   0.004198  -0.054242  -0.001938   0.001017
     9  N   -0.001969   0.006535  -0.018014  -0.023680  -0.037156  -0.079043
    10  N   -0.000932   0.004180  -0.017943  -0.023319  -0.009090  -0.037226
    11  C    0.001712   0.001654   0.006479  -0.054371  -0.000917  -0.001938
    12  C    0.001629  -0.001256  -0.001917  -0.053656   0.004162   0.006472
    13  N    0.006388  -0.001872  -0.037248  -0.023698  -0.017847  -0.017874
    14  H   -0.000101   0.000383   0.000659  -0.002105   0.002081  -0.012204
    15  H    0.000095  -0.000041  -0.000003   0.007911  -0.000221   0.012236
    16  H   -0.000009   0.000128   0.000027  -0.002068   0.002588  -0.064914
    17  H    0.000513  -0.000814   0.001370   0.007909  -0.003556  -0.016317
    18  H    0.000129  -0.000008   0.002593  -0.002107   0.000026   0.002087
    19  H   -0.000814   0.000519  -0.003547   0.007852   0.001364  -0.000223
    20  H    0.000383  -0.000101   0.002076  -0.002053   0.000656   0.002590
    21  H   -0.000039   0.000094  -0.000227   0.007886  -0.000015  -0.003563
    22  H   -0.003900   0.284670  -0.064820  -0.002094  -0.012263   0.000027
    23  H   -0.019657   0.323851  -0.016485   0.007902   0.012203   0.001372
    24  H    0.284673  -0.003839  -0.012250  -0.002073  -0.064883   0.000659
    25  H    0.323756  -0.019707   0.012244   0.007812  -0.016328  -0.000009
    26  H   -0.005382  -0.029593  -0.011297   0.003125   0.341626  -0.010503
    27  H   -0.034408   0.027922  -0.006380  -0.014413   0.368198   0.000437
    28  H   -0.029613  -0.005250   0.341608   0.002931  -0.011303  -0.001171
    29  H    0.027961  -0.034503   0.368459  -0.014388  -0.006317  -0.001277
    30  H    0.004752  -0.006933  -0.005883   0.003122  -0.010486   0.005848
    31  H    0.006946  -0.003064  -0.001377  -0.014478   0.000452  -0.007244
    32  H    0.000625  -0.000695   0.005858   0.002935  -0.001166  -0.005776
    33  H   -0.000902   0.000463  -0.007186  -0.014392  -0.001277  -0.001406
    34  H   -0.000699   0.000624  -0.001169   0.003086   0.005849   0.341560
    35  H    0.000480  -0.000911  -0.001270  -0.014611  -0.007241   0.368264
    36  H   -0.006920   0.004754  -0.010503   0.002976  -0.005807  -0.011291
    37  H   -0.003056   0.006921   0.000411  -0.014461  -0.001394  -0.006319
               7          8          9         10         11         12
     1  C    0.001620  -0.001235  -0.001969  -0.000932   0.001712   0.001629
     2  C    0.001721   0.001635   0.006535   0.004180   0.001654  -0.001256
     3  N   -0.000944   0.004198  -0.018014  -0.017943   0.006479  -0.001917
     4  Rh  -0.053802  -0.054242  -0.023680  -0.023319  -0.054371  -0.053656
     5  N    0.006483  -0.001938  -0.037156  -0.009090  -0.000917   0.004162
     6  N    0.202446   0.001017  -0.079043  -0.037226  -0.001938   0.006472
     7  C    5.814464  -0.064802   0.000891  -0.001941  -0.001236   0.001622
     8  C   -0.064802   5.814198   0.202544   0.006525   0.001634   0.001723
     9  N    0.000891   0.202544   6.687710  -0.017949   0.004194  -0.000933
    10  N   -0.001941   0.006525  -0.017949   6.687627   0.202684   0.000763
    11  C   -0.001236   0.001634   0.004194   0.202684   5.814191  -0.064990
    12  C    0.001622   0.001723  -0.000933   0.000763  -0.064990   5.814386
    13  N    0.004183  -0.000922  -0.009082  -0.078909   0.000877   0.202444
    14  H   -0.003876   0.284654  -0.064729   0.002588  -0.000008   0.000128
    15  H   -0.019751   0.323767  -0.016530  -0.003574   0.000511  -0.000810
    16  H    0.284724  -0.003869  -0.012208   0.002070  -0.000101   0.000385
    17  H    0.323527  -0.019662   0.012240  -0.000225   0.000096  -0.000041
    18  H   -0.000100   0.000380   0.000662  -0.064781   0.284633  -0.003882
    19  H    0.000094  -0.000038  -0.000001  -0.016545   0.324056  -0.019736
    20  H   -0.000009   0.000128   0.000028  -0.012264  -0.003861   0.284726
    21  H    0.000511  -0.000815   0.001373   0.012278  -0.019595   0.323537
    22  H    0.000128  -0.000008   0.002586   0.000660   0.000382  -0.000101
    23  H   -0.000812   0.000513  -0.003549  -0.000006  -0.000039   0.000095
    24  H    0.000383  -0.000100   0.002074   0.000027   0.000128  -0.000009
    25  H   -0.000038   0.000095  -0.000225   0.001369  -0.000818   0.000521
    26  H    0.004762  -0.006935  -0.005830  -0.001166   0.000623  -0.000697
    27  H    0.006946  -0.003076  -0.001365  -0.001271  -0.000905   0.000468
    28  H    0.000625  -0.000696   0.005859  -0.010482   0.004732  -0.006908
    29  H   -0.000909   0.000468  -0.007245   0.000397   0.006905  -0.003050
    30  H   -0.000696   0.000624  -0.001170  -0.011283  -0.029629  -0.005382
    31  H    0.000473  -0.000909  -0.001273  -0.006379   0.027901  -0.034419
    32  H   -0.006907   0.004714  -0.010487   0.341570  -0.005215  -0.029608
    33  H   -0.003058   0.006917   0.000396   0.368534  -0.034582   0.028023
    34  H   -0.005352  -0.029655  -0.011287  -0.005879  -0.006951   0.004786
    35  H   -0.034373   0.027886  -0.006347  -0.001383  -0.003076   0.006960
    36  H   -0.029679  -0.005221   0.341593   0.005860  -0.000696   0.000625
    37  H    0.027974  -0.034461   0.368569  -0.007210   0.000475  -0.000908
              13         14         15         16         17         18
     1  C    0.006388  -0.000101   0.000095  -0.000009   0.000513   0.000129
     2  C   -0.001872   0.000383  -0.000041   0.000128  -0.000814  -0.000008
     3  N   -0.037248   0.000659  -0.000003   0.000027   0.001370   0.002593
     4  Rh  -0.023698  -0.002105   0.007911  -0.002068   0.007909  -0.002107
     5  N   -0.017847   0.002081  -0.000221   0.002588  -0.003556   0.000026
     6  N   -0.017874  -0.012204   0.012236  -0.064914  -0.016317   0.002087
     7  C    0.004183  -0.003876  -0.019751   0.284724   0.323527  -0.000100
     8  C   -0.000922   0.284654   0.323767  -0.003869  -0.019662   0.000380
     9  N   -0.009082  -0.064729  -0.016530  -0.012208   0.012240   0.000662
    10  N   -0.078909   0.002588  -0.003574   0.002070  -0.000225  -0.064781
    11  C    0.000877  -0.000008   0.000511  -0.000101   0.000096   0.284633
    12  C    0.202444   0.000128  -0.000810   0.000385  -0.000041  -0.003882
    13  N    6.688016   0.000026   0.001365   0.000656  -0.000011  -0.012246
    14  H    0.000026   0.411906  -0.012186   0.022831  -0.002285   0.000002
    15  H    0.001365  -0.012186   0.428326  -0.002301   0.003128  -0.000139
    16  H    0.000656   0.022831  -0.002301   0.411970  -0.012253  -0.000003
    17  H   -0.000011  -0.002285   0.003128  -0.012253   0.428438   0.000010
    18  H   -0.012246   0.000002  -0.000139  -0.000003   0.000010   0.411961
    19  H    0.012203   0.000007   0.000164   0.000010   0.000014  -0.012169
    20  H   -0.064970   0.000004  -0.000024   0.000002   0.000007   0.022835
    21  H   -0.016252  -0.000024  -0.000637  -0.000143   0.000165  -0.002294
    22  H    0.002091   0.000002   0.000007   0.000004  -0.000024   0.000002
    23  H   -0.000221  -0.000140   0.000165  -0.000024  -0.000637   0.000007
    24  H    0.002589  -0.000003   0.000010   0.000001  -0.000142   0.000004
    25  H   -0.003541   0.000010   0.000014   0.000007   0.000164  -0.000024
    26  H    0.005834   0.000220  -0.000171   0.000755  -0.000914   0.000012
    27  H   -0.007199  -0.000264  -0.000103  -0.000032  -0.000239   0.000006
    28  H   -0.005800   0.000033  -0.000027   0.000012   0.000104   0.000758
    29  H   -0.001406   0.000219   0.000356   0.000006   0.000230  -0.000025
    30  H    0.341567   0.000012   0.000104   0.000033  -0.000027  -0.002117
    31  H    0.368149   0.000006   0.000228   0.000219   0.000353  -0.001311
    32  H   -0.011329   0.000757  -0.000900   0.000226  -0.000171  -0.013266
    33  H   -0.006322  -0.000027  -0.000207  -0.000262  -0.000101   0.012480
    34  H   -0.010480  -0.002122   0.000558  -0.013387   0.001317   0.000219
    35  H    0.000466  -0.001311   0.000428   0.012578  -0.026825  -0.000264
    36  H   -0.001164  -0.013352   0.001332  -0.002119   0.000535   0.000033
    37  H   -0.001272   0.012485  -0.026763  -0.001302   0.000420   0.000219
              19         20         21         22         23         24
     1  C   -0.000814   0.000383  -0.000039  -0.003900  -0.019657   0.284673
     2  C    0.000519  -0.000101   0.000094   0.284670   0.323851  -0.003839
     3  N   -0.003547   0.002076  -0.000227  -0.064820  -0.016485  -0.012250
     4  Rh   0.007852  -0.002053   0.007886  -0.002094   0.007902  -0.002073
     5  N    0.001364   0.000656  -0.000015  -0.012263   0.012203  -0.064883
     6  N   -0.000223   0.002590  -0.003563   0.000027   0.001372   0.000659
     7  C    0.000094  -0.000009   0.000511   0.000128  -0.000812   0.000383
     8  C   -0.000038   0.000128  -0.000815  -0.000008   0.000513  -0.000100
     9  N   -0.000001   0.000028   0.001373   0.002586  -0.003549   0.002074
    10  N   -0.016545  -0.012264   0.012278   0.000660  -0.000006   0.000027
    11  C    0.324056  -0.003861  -0.019595   0.000382  -0.000039   0.000128
    12  C   -0.019736   0.284726   0.323537  -0.000101   0.000095  -0.000009
    13  N    0.012203  -0.064970  -0.016252   0.002091  -0.000221   0.002589
    14  H    0.000007   0.000004  -0.000024   0.000002  -0.000140  -0.000003
    15  H    0.000164  -0.000024  -0.000637   0.000007   0.000165   0.000010
    16  H    0.000010   0.000002  -0.000143   0.000004  -0.000024   0.000001
    17  H    0.000014   0.000007   0.000165  -0.000024  -0.000637  -0.000142
    18  H   -0.012169   0.022835  -0.002294   0.000002   0.000007   0.000004
    19  H    0.428208  -0.002312   0.003102  -0.000139   0.000164  -0.000024
    20  H   -0.002312   0.412090  -0.012311  -0.000003   0.000010   0.000001
    21  H    0.003102  -0.012311   0.428438   0.000010   0.000014   0.000007
    22  H   -0.000139  -0.000003   0.000010   0.412006  -0.012198   0.022857
    23  H    0.000164   0.000010   0.000014  -0.012198   0.428283  -0.002304
    24  H   -0.000024   0.000001   0.000007   0.022857  -0.002304   0.411966
    25  H   -0.000638  -0.000141   0.000165  -0.002300   0.003109  -0.012252
    26  H    0.000104   0.000033  -0.000027  -0.002116   0.000543  -0.013374
    27  H    0.000228   0.000218   0.000352  -0.001306   0.000420   0.012581
    28  H   -0.000887   0.000229  -0.000172  -0.013335   0.001328  -0.002115
    29  H   -0.000208  -0.000261  -0.000101   0.012513  -0.026750  -0.001302
    30  H    0.000534  -0.013395   0.001324   0.000223  -0.000171   0.000755
    31  H    0.000430   0.012622  -0.026834  -0.000263  -0.000102  -0.000031
    32  H    0.001319  -0.002112   0.000529   0.000033  -0.000027   0.000012
    33  H   -0.026767  -0.001300   0.000416   0.000218   0.000353   0.000006
    34  H   -0.000170   0.000756  -0.000933   0.000012   0.000104   0.000033
    35  H   -0.000104  -0.000032  -0.000250   0.000006   0.000228   0.000219
    36  H   -0.000026   0.000012   0.000104   0.000759  -0.000899   0.000226
    37  H    0.000355   0.000006   0.000229  -0.000027  -0.000224  -0.000262
              25         26         27         28         29         30
     1  C    0.323756  -0.005382  -0.034408  -0.029613   0.027961   0.004752
     2  C   -0.019707  -0.029593   0.027922  -0.005250  -0.034503  -0.006933
     3  N    0.012244  -0.011297  -0.006380   0.341608   0.368459  -0.005883
     4  Rh   0.007812   0.003125  -0.014413   0.002931  -0.014388   0.003122
     5  N   -0.016328   0.341626   0.368198  -0.011303  -0.006317  -0.010486
     6  N   -0.000009  -0.010503   0.000437  -0.001171  -0.001277   0.005848
     7  C   -0.000038   0.004762   0.006946   0.000625  -0.000909  -0.000696
     8  C    0.000095  -0.006935  -0.003076  -0.000696   0.000468   0.000624
     9  N   -0.000225  -0.005830  -0.001365   0.005859  -0.007245  -0.001170
    10  N    0.001369  -0.001166  -0.001271  -0.010482   0.000397  -0.011283
    11  C   -0.000818   0.000623  -0.000905   0.004732   0.006905  -0.029629
    12  C    0.000521  -0.000697   0.000468  -0.006908  -0.003050  -0.005382
    13  N   -0.003541   0.005834  -0.007199  -0.005800  -0.001406   0.341567
    14  H    0.000010   0.000220  -0.000264   0.000033   0.000219   0.000012
    15  H    0.000014  -0.000171  -0.000103  -0.000027   0.000356   0.000104
    16  H    0.000007   0.000755  -0.000032   0.000012   0.000006   0.000033
    17  H    0.000164  -0.000914  -0.000239   0.000104   0.000230  -0.000027
    18  H   -0.000024   0.000012   0.000006   0.000758  -0.000025  -0.002117
    19  H   -0.000638   0.000104   0.000228  -0.000887  -0.000208   0.000534
    20  H   -0.000141   0.000033   0.000218   0.000229  -0.000261  -0.013395
    21  H    0.000165  -0.000027   0.000352  -0.000172  -0.000101   0.001324
    22  H   -0.002300  -0.002116  -0.001306  -0.013335   0.012513   0.000223
    23  H    0.003109   0.000543   0.000420   0.001328  -0.026750  -0.000171
    24  H   -0.012252  -0.013374   0.012581  -0.002115  -0.001302   0.000755
    25  H    0.428413   0.001311  -0.026828   0.000522   0.000422  -0.000905
    26  H    0.001311   0.568142  -0.101171   0.000803  -0.001536   0.000282
    27  H   -0.026828  -0.101171   0.492876  -0.001535  -0.001179  -0.001077
    28  H    0.000522   0.000803  -0.001535   0.568300  -0.101329  -0.001712
    29  H    0.000422  -0.001536  -0.001179  -0.101329   0.492935  -0.000350
    30  H   -0.000905   0.000282  -0.001077  -0.001712  -0.000350   0.568234
    31  H   -0.000243   0.002638  -0.004390  -0.000346   0.001144  -0.101217
    32  H    0.000104  -0.000423  -0.000401   0.000280   0.002630   0.000804
    33  H    0.000230  -0.000401  -0.000083  -0.001099  -0.004385  -0.001532
    34  H   -0.000026   0.000285   0.002639  -0.000424  -0.000401   0.000284
    35  H    0.000353  -0.001077  -0.004407  -0.000401  -0.000082   0.002641
    36  H   -0.000171  -0.001739  -0.000341   0.000280  -0.001094  -0.000423
    37  H   -0.000102  -0.000345   0.001143   0.002633  -0.004395  -0.000400
              31         32         33         34         35         36
     1  C    0.006946   0.000625  -0.000902  -0.000699   0.000480  -0.006920
     2  C   -0.003064  -0.000695   0.000463   0.000624  -0.000911   0.004754
     3  N   -0.001377   0.005858  -0.007186  -0.001169  -0.001270  -0.010503
     4  Rh  -0.014478   0.002935  -0.014392   0.003086  -0.014611   0.002976
     5  N    0.000452  -0.001166  -0.001277   0.005849  -0.007241  -0.005807
     6  N   -0.007244  -0.005776  -0.001406   0.341560   0.368264  -0.011291
     7  C    0.000473  -0.006907  -0.003058  -0.005352  -0.034373  -0.029679
     8  C   -0.000909   0.004714   0.006917  -0.029655   0.027886  -0.005221
     9  N   -0.001273  -0.010487   0.000396  -0.011287  -0.006347   0.341593
    10  N   -0.006379   0.341570   0.368534  -0.005879  -0.001383   0.005860
    11  C    0.027901  -0.005215  -0.034582  -0.006951  -0.003076  -0.000696
    12  C   -0.034419  -0.029608   0.028023   0.004786   0.006960   0.000625
    13  N    0.368149  -0.011329  -0.006322  -0.010480   0.000466  -0.001164
    14  H    0.000006   0.000757  -0.000027  -0.002122  -0.001311  -0.013352
    15  H    0.000228  -0.000900  -0.000207   0.000558   0.000428   0.001332
    16  H    0.000219   0.000226  -0.000262  -0.013387   0.012578  -0.002119
    17  H    0.000353  -0.000171  -0.000101   0.001317  -0.026825   0.000535
    18  H   -0.001311  -0.013266   0.012480   0.000219  -0.000264   0.000033
    19  H    0.000430   0.001319  -0.026767  -0.000170  -0.000104  -0.000026
    20  H    0.012622  -0.002112  -0.001300   0.000756  -0.000032   0.000012
    21  H   -0.026834   0.000529   0.000416  -0.000933  -0.000250   0.000104
    22  H   -0.000263   0.000033   0.000218   0.000012   0.000006   0.000759
    23  H   -0.000102  -0.000027   0.000353   0.000104   0.000228  -0.000899
    24  H   -0.000031   0.000012   0.000006   0.000033   0.000219   0.000226
    25  H   -0.000243   0.000104   0.000230  -0.000026   0.000353  -0.000171
    26  H    0.002638  -0.000423  -0.000401   0.000285  -0.001077  -0.001739
    27  H   -0.004390  -0.000401  -0.000083   0.002639  -0.004407  -0.000341
    28  H   -0.000346   0.000280  -0.001099  -0.000424  -0.000401   0.000280
    29  H    0.001144   0.002630  -0.004385  -0.000401  -0.000082  -0.001094
    30  H   -0.101217   0.000804  -0.001532   0.000284   0.002641  -0.000423
    31  H    0.493005  -0.001541  -0.001181  -0.001078  -0.004394  -0.000401
    32  H   -0.001541   0.568264  -0.101296  -0.001719  -0.000349   0.000279
    33  H   -0.001181  -0.101296   0.492902  -0.000348   0.001145   0.002635
    34  H   -0.001078  -0.001719  -0.000348   0.568254  -0.101208   0.000803
    35  H   -0.004394  -0.000349   0.001145  -0.101208   0.492873  -0.001537
    36  H   -0.000401   0.000279   0.002635   0.000803  -0.001537   0.568354
    37  H   -0.000081  -0.001090  -0.004415  -0.001533  -0.001179  -0.101337
              37
     1  C   -0.003056
     2  C    0.006921
     3  N    0.000411
     4  Rh  -0.014461
     5  N   -0.001394
     6  N   -0.006319
     7  C    0.027974
     8  C   -0.034461
     9  N    0.368569
    10  N   -0.007210
    11  C    0.000475
    12  C   -0.000908
    13  N   -0.001272
    14  H    0.012485
    15  H   -0.026763
    16  H   -0.001302
    17  H    0.000420
    18  H    0.000219
    19  H    0.000355
    20  H    0.000006
    21  H    0.000229
    22  H   -0.000027
    23  H   -0.000224
    24  H   -0.000262
    25  H   -0.000102
    26  H   -0.000345
    27  H    0.001143
    28  H    0.002633
    29  H   -0.004395
    30  H   -0.000400
    31  H   -0.000081
    32  H   -0.001090
    33  H   -0.004415
    34  H   -0.001533
    35  H   -0.001179
    36  H   -0.101337
    37  H    0.492755
 Mulliken charges:
               1
     1  C   -0.455005
     2  C   -0.455033
     3  N   -0.307125
     4  Rh   0.128706
     5  N   -0.307438
     6  N   -0.307439
     7  C   -0.455296
     8  C   -0.455035
     9  N   -0.307177
    10  N   -0.307376
    11  C   -0.454938
    12  C   -0.455153
    13  N   -0.307189
    14  H    0.375725
    15  H    0.303685
    16  H    0.375760
    17  H    0.303705
    18  H    0.375678
    19  H    0.303619
    20  H    0.375735
    21  H    0.303696
    22  H    0.375699
    23  H    0.303581
    24  H    0.375750
    25  H    0.303677
    26  H    0.263598
    27  H    0.297940
    28  H    0.263565
    29  H    0.297846
    30  H    0.263645
    31  H    0.297988
    32  H    0.263538
    33  H    0.297810
    34  H    0.263652
    35  H    0.298104
    36  H    0.263561
    37  H    0.297942
 Sum of Mulliken charges =   3.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.224422
     2  C    0.224248
     3  N    0.254286
     4  Rh   0.128706
     5  N    0.254100
     6  N    0.254317
     7  C    0.224169
     8  C    0.224375
     9  N    0.254325
    10  N    0.253971
    11  C    0.224360
    12  C    0.224279
    13  N    0.254444
 Electronic spatial extent (au):  <R**2>=           2774.3463
 Charge=              3.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.0005    Y=              0.0004    Z=              0.0021  Tot=              0.0022
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -31.9587   YY=            -31.9631   ZZ=            -52.2510
   XY=             -0.0018   XZ=             -0.0012   YZ=             -0.0019
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              6.7655   YY=              6.7612   ZZ=            -13.5267
   XY=             -0.0018   XZ=             -0.0012   YZ=             -0.0019
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=             20.5029  YYY=            -30.7090  ZZZ=              0.0133  XYY=            -20.4955
  XXY=             30.7147  XXZ=              0.0035  XZZ=              0.0110  YZZ=             -0.0005
  YYZ=             -0.0013  XYZ=              0.0013
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -967.5560 YYYY=           -967.3648 ZZZZ=           -412.5470 XXXY=             -0.0266
 XXXZ=            -31.2194 YYYX=             -0.0190 YYYZ=            -20.8334 ZZZX=             -0.0079
 ZZZY=             -0.0125 XXYY=           -322.4992 XXZZ=           -240.9918 YYZZ=           -240.9678
 XXYZ=             20.8064 YYXZ=             31.2109 ZZXY=              0.0013
 N-N= 1.198104516870D+03 E-N=-3.906605021995D+03  KE= 6.086951183613D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Fri Jul 23 00:50:14 2021, MaxMem=  5637144576 cpu:               5.2 elap:               0.9
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 1.91296448D-04 1.38903366D-04 8.50858411D-04
 Polarizability= 1.47873068D+02-2.36766975D-03 1.47869736D+02
                -9.99417547D-05-2.53382388D-03 1.22516732D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0015    0.0002       -0.0010   -0.0014
 2     -0.0015   -0.0002        0.0002    0.0015        0.0005   -0.0016
 3      0.0010    0.0014       13.9419   13.9349       -0.0001   -0.0015
 4     -0.0002   -0.0015       -0.0000    0.0000        0.0028    0.0014
 5    -13.9424  -13.9333       -0.0028   -0.0014        0.0001    0.0002
 6      0.0001    0.0015       -0.0001   -0.0002       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0005   -0.0005       -0.0043   -0.0043
 2     -0.0046   -0.0046        0.0000    0.0000       -0.0043   -0.0043
 3     -0.0046   -0.0046       -0.0005   -0.0005        0.0000    0.0000
 4     -0.0005   -0.0005        0.0046    0.0046       -0.0048   -0.0048
 5      0.0043    0.0043       41.8048   41.8048       -0.0046   -0.0046
 6    -41.8000  -41.8000       -0.0043   -0.0043        0.0005    0.0005
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0716    0.0000       -0.1148   -0.0006       -0.0157    0.0058
 2      0.0328    0.0006        0.0399   -0.0062        0.1173    0.0064
 3      0.1072   -0.0058      -55.7113  -55.7398        0.0857    0.0062
 4      0.0245    0.0062       -0.1568    0.0000       -0.0112   -0.0058
 5     55.7066   55.7334        0.0391    0.0058        0.0675   -0.0006
 6     -0.0251   -0.0062       -0.0723    0.0006       -0.0538    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.2578    0.0000       -0.6547   -0.0233       -0.5855   -0.0265
 2     -0.3304    0.0233        0.1728   -0.0047       -0.2051   -0.0593
 3     -0.1974    0.0265        4.0988    4.6445       -0.3916    0.0047
 4      0.0881    0.0047        0.4901    0.0000        0.1820    0.0265
 5     -4.0674   -4.5852        0.2429   -0.0265        0.2933   -0.0233
 6      0.1127   -0.0047        0.1081    0.0233        0.2539    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1    -60.9126  -60.9411      -91.2818  -91.3296       -0.0058    0.0216
 2    -60.9724  -60.9568      -91.2547  -91.3382       -0.0110    0.0216
 3    -60.9193  -60.9568      -91.2798  -91.3296        0.0166    0.0267
 4      0.0310    0.0086       -0.0649    0.0157        0.1768   -0.0016
 5     -0.0269    0.0052      -34.3697  -34.4790       -0.1176   -0.0157
 6     34.5438   34.4806        0.0180   -0.0052       -0.1433   -0.0086
 Full mass-weighted force constant matrix:
 Low frequencies ---   -7.2086   -0.0004   -0.0003    0.0004    3.3662   11.2833
 Low frequencies ---   79.3119   82.1585   89.6210
 Diagonal vibrational polarizability:
       12.5681142      12.4987150      14.3707008
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     79.3063                82.1497                89.6203
 Red. masses --      2.9290                 2.9306                 2.8178
 Frc consts  --      0.0109                 0.0117                 0.0133
 IR Inten    --      0.0043                 0.0049                 0.0046
 RamAct Fr= 1--      1.2800                 1.2360                 0.0480
  Dep-P Fr= 1--      0.7500                 0.7500                 0.7477
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8556
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.1829                 0.1766                 0.0069
 AlphaG Fr= 1--     -0.0000                 0.0000                 0.0000
 Gamma2 Fr= 1--     -0.5928                -0.5827                -0.0217
 Delta2 Fr= 1--     -0.0687                -0.0720                -0.0026
 Raman1 Fr= 1--       5.120                  4.944                  0.192
 ROA1   Fr= 1--     -59.111                -58.241                 -2.168
 CID1   Fr= 1--     -11.545                -11.780                -11.282
 Raman2 Fr= 1--       2.194                  2.119                  0.082
 ROA2   Fr= 1--     -13.679                -13.408                 -0.501
 CID2   Fr= 1--      -6.234                 -6.328                 -6.093
 Raman3 Fr= 1--       4.389                  4.238                  0.164
 ROA3   Fr= 1--     -59.111                -58.241                 -2.168
 CID3   Fr= 1--     -13.469                -13.744                -13.186
 RC180  Fr= 1--       0.714                  0.714                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.06  -0.01     0.18  -0.05  -0.04     0.06  -0.08  -0.11
     2   6     0.06  -0.05  -0.02     0.17  -0.00  -0.04     0.09   0.05  -0.11
     3   7     0.02  -0.06  -0.01    -0.01  -0.04   0.03    -0.04   0.05   0.04
     4  45    -0.02  -0.04   0.00    -0.04   0.02  -0.01    -0.01   0.00   0.05
     5   7    -0.04  -0.03   0.03     0.03   0.05   0.02    -0.05  -0.03   0.03
     6   7    -0.07   0.01   0.01    -0.02   0.03  -0.04     0.06  -0.03   0.02
     7   6    -0.06   0.15  -0.05    -0.03  -0.14   0.06     0.04   0.04  -0.09
     8   6    -0.09   0.10  -0.04     0.05  -0.15   0.06    -0.06  -0.01  -0.09
     9   7     0.01  -0.02   0.04    -0.04  -0.03  -0.01    -0.04  -0.07   0.03
    10   7     0.05  -0.02  -0.02    -0.06  -0.01  -0.04     0.06   0.01   0.03
    11   6     0.11   0.16   0.06    -0.02   0.07   0.03     0.01  -0.06  -0.10
    12   6     0.15   0.10   0.06     0.04   0.08   0.04    -0.07   0.02  -0.10
    13   7    -0.03   0.01  -0.04    -0.02   0.05   0.01    -0.00   0.08   0.03
    14   1    -0.07   0.19  -0.06     0.05  -0.26   0.13    -0.07   0.03  -0.16
    15   1    -0.20   0.04  -0.08     0.19  -0.11   0.05    -0.15  -0.04  -0.10
    16   1    -0.13   0.23  -0.10     0.05  -0.21   0.10     0.03   0.08  -0.16
    17   1     0.06   0.20  -0.03    -0.16  -0.17   0.09     0.13   0.07  -0.10
    18   1     0.24   0.21   0.11     0.01   0.08   0.04    -0.03  -0.10  -0.17
    19   1    -0.01   0.27   0.06    -0.08   0.10   0.07     0.09  -0.13  -0.10
    20   1     0.18   0.23   0.10     0.07   0.14   0.09    -0.10  -0.02  -0.17
    21   1     0.27  -0.01   0.08     0.11   0.04   0.01    -0.15   0.10  -0.11
    22   1     0.10  -0.07  -0.05     0.26  -0.08  -0.07     0.16   0.02  -0.19
    23   1     0.09  -0.00   0.01     0.19   0.14  -0.06     0.11   0.20  -0.12
    24   1     0.03  -0.04  -0.01     0.30  -0.01  -0.08     0.15  -0.07  -0.20
    25   1    -0.01  -0.09  -0.05     0.15  -0.19  -0.04     0.03  -0.22  -0.12
    26   1    -0.03  -0.00   0.08     0.08   0.16   0.09    -0.02   0.04   0.14
    27   1    -0.10  -0.02   0.03    -0.05   0.05   0.01    -0.18  -0.07   0.03
    28   1     0.02  -0.09  -0.02    -0.00  -0.15   0.12    -0.04  -0.03   0.15
    29   1     0.02  -0.05  -0.01    -0.10   0.00   0.02    -0.15   0.14   0.03
    30   1    -0.10   0.11  -0.14    -0.05   0.08  -0.01     0.02   0.04   0.12
    31   1    -0.08  -0.10  -0.03    -0.02   0.02   0.01     0.02   0.20   0.03
    32   1     0.15  -0.08  -0.11    -0.01  -0.02  -0.11     0.01   0.02   0.10
    33   1    -0.04  -0.08  -0.02    -0.13  -0.05  -0.03     0.16   0.03   0.02
    34   1    -0.16  -0.01   0.06     0.07   0.03  -0.15     0.02  -0.03   0.10
    35   1    -0.02  -0.04   0.00    -0.10   0.13  -0.03     0.14  -0.09   0.02
    36   1     0.08   0.03   0.13    -0.12  -0.08  -0.08    -0.01  -0.04   0.11
    37   1     0.02  -0.13   0.03    -0.03   0.06  -0.01    -0.06  -0.17   0.03
                      4                      5                      6
                      A                      A                      A
 Frequencies --    145.4431               146.0857               167.3231
 Red. masses --      2.9558                 2.9495                 2.6774
 Frc consts  --      0.0368                 0.0371                 0.0442
 IR Inten    --      0.9057                 0.8614                 0.0103
 RamAct Fr= 1--      0.3179                 0.3362                 1.5895
  Dep-P Fr= 1--      0.7498                 0.7491                 0.6961
  Dep-U Fr= 1--      0.8570                 0.8566                 0.8208
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0015
 Beta2  Fr= 1--      0.0454                 0.0480                 0.2175
 AlphaG Fr= 1--     -0.0000                -0.0000                -0.0109
 Gamma2 Fr= 1--      0.7497                 0.7716                -1.5041
 Delta2 Fr= 1--      0.1912                 0.1959                -0.4175
 Raman1 Fr= 1--       1.272                  1.345                  6.358
 ROA1   Fr= 1--      78.087                 80.344               -157.753
 CID1   Fr= 1--      61.402                 59.746                -24.811
 Raman2 Fr= 1--       0.545                  0.576                  2.610
 ROA2   Fr= 1--      16.462                 16.951                -32.759
 CID2   Fr= 1--      30.209                 29.433                -12.554
 Raman3 Fr= 1--       1.090                  1.152                  5.219
 ROA3   Fr= 1--      78.087                 80.344               -157.753
 CID3   Fr= 1--      71.648                 69.751                -30.227
 RC180  Fr= 1--       0.714                  0.713                  0.642
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.05   0.07     0.11  -0.03   0.06     0.08  -0.04  -0.01
     2   6     0.12  -0.02   0.05    -0.04  -0.04   0.07    -0.10  -0.00   0.01
     3   7     0.11  -0.04  -0.05    -0.08  -0.04   0.08    -0.09   0.02   0.07
     4  45    -0.01   0.01   0.00    -0.01  -0.01   0.00     0.00   0.00  -0.00
     5   7    -0.06   0.06   0.08     0.12  -0.00  -0.05     0.08  -0.02  -0.07
     6   7     0.06  -0.04  -0.00     0.01  -0.12   0.09    -0.02   0.09  -0.07
     7   6     0.04  -0.07  -0.08    -0.01  -0.09   0.03    -0.00   0.10  -0.01
     8   6    -0.02  -0.04  -0.09    -0.06   0.10   0.01     0.06  -0.09   0.01
     9   7    -0.05  -0.02  -0.04    -0.05   0.12  -0.08     0.04  -0.09   0.07
    10   7     0.05   0.11   0.09     0.08   0.03   0.01     0.05   0.07   0.07
    11   6     0.03   0.09   0.04     0.07   0.06  -0.08     0.04   0.09   0.01
    12   6    -0.10  -0.07   0.01    -0.01   0.04  -0.09    -0.08  -0.06  -0.01
    13   7    -0.09  -0.09  -0.08    -0.05   0.03  -0.05    -0.06  -0.07  -0.07
    14   1    -0.04  -0.05  -0.14    -0.07   0.17  -0.07     0.07  -0.17   0.10
    15   1    -0.04  -0.03  -0.06    -0.11   0.16   0.14     0.13  -0.14  -0.12
    16   1     0.08  -0.10  -0.09     0.01  -0.14   0.12    -0.05   0.17  -0.10
    17   1     0.04  -0.09  -0.12    -0.01  -0.16  -0.10     0.02   0.18   0.12
    18   1     0.07   0.13   0.13     0.12   0.07  -0.07     0.10   0.13   0.10
    19   1     0.05   0.16  -0.09     0.08   0.09  -0.13     0.05   0.17  -0.11
    20   1    -0.13  -0.14  -0.06    -0.03   0.05  -0.14    -0.12  -0.13  -0.09
    21   1    -0.16  -0.11   0.15    -0.04   0.03  -0.05    -0.16  -0.08   0.12
    22   1     0.17  -0.05   0.00    -0.08  -0.04   0.16    -0.17   0.03   0.09
    23   1     0.17  -0.01   0.15    -0.10  -0.05  -0.02    -0.17  -0.03  -0.11
    24   1    -0.06   0.06   0.15     0.18  -0.02   0.01     0.16  -0.04  -0.09
    25   1    -0.07   0.08  -0.03     0.16  -0.05   0.16     0.14  -0.10   0.11
    26   1    -0.05   0.06   0.16     0.11   0.03  -0.16     0.08   0.00  -0.14
    27   1    -0.13   0.12   0.07     0.23  -0.01  -0.04     0.15  -0.04  -0.06
    28   1     0.09  -0.07  -0.17    -0.07  -0.04   0.16    -0.08   0.04   0.14
    29   1     0.22  -0.07  -0.04    -0.16  -0.06   0.07    -0.17   0.03   0.06
    30   1    -0.06  -0.10  -0.22    -0.06   0.04  -0.07    -0.04  -0.08  -0.15
    31   1    -0.18  -0.18  -0.06    -0.10   0.04  -0.05    -0.12  -0.13  -0.06
    32   1     0.05   0.08   0.21     0.10   0.00   0.07     0.07   0.05   0.14
    33   1     0.10   0.21   0.08     0.14   0.05   0.00     0.09   0.13   0.06
    34   1     0.09  -0.03   0.05     0.01  -0.10   0.21    -0.05   0.08  -0.15
    35   1     0.11  -0.08  -0.00     0.02  -0.24   0.07    -0.04   0.17  -0.06
    36   1    -0.07  -0.03  -0.05    -0.02   0.11  -0.21     0.00  -0.09   0.15
    37   1    -0.10  -0.02  -0.04    -0.10   0.23  -0.06     0.07  -0.17   0.06
                      7                      8                      9
                      A                      A                      A
 Frequencies --    217.6300               219.9432               225.8217
 Red. masses --      2.8494                 2.8634                 2.9493
 Frc consts  --      0.0795                 0.0816                 0.0886
 IR Inten    --      3.9561                 3.8975                18.2078
 RamAct Fr= 1--      3.4409                 3.4692                 0.0537
  Dep-P Fr= 1--      0.7498                 0.7500                 0.7373
  Dep-U Fr= 1--      0.8570                 0.8571                 0.8488
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.4915                 0.4956                 0.0076
 AlphaG Fr= 1--      0.0000                -0.0000                 0.0000
 Gamma2 Fr= 1--      0.3988                 0.4303                 0.0033
 Delta2 Fr= 1--      0.2491                 0.2476                 0.0016
 Raman1 Fr= 1--      13.764                 13.877                  0.215
 ROA1   Fr= 1--      46.256                 49.232                  0.369
 CID1   Fr= 1--       3.361                  3.548                  1.720
 Raman2 Fr= 1--       5.898                  5.947                  0.091
 ROA2   Fr= 1--       7.579                  8.346                  0.067
 CID2   Fr= 1--       1.285                  1.403                  0.730
 Raman3 Fr= 1--      11.795                 11.894                  0.182
 ROA3   Fr= 1--      46.256                 49.232                  0.369
 CID3   Fr= 1--       3.922                  4.139                  2.026
 RC180  Fr= 1--       0.714                  0.714                  0.698
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.03   0.01    -0.05  -0.09   0.00    -0.03  -0.01  -0.04
     2   6     0.01  -0.07   0.00     0.01  -0.08  -0.00    -0.03   0.01  -0.04
     3   7     0.14  -0.06  -0.11    -0.01  -0.07   0.03     0.09   0.04  -0.04
     4  45    -0.00  -0.00   0.01     0.00  -0.00  -0.01     0.00  -0.00   0.08
     5   7     0.12  -0.03  -0.11    -0.10  -0.05   0.03     0.06  -0.08  -0.04
     6   7    -0.06  -0.01   0.02    -0.08   0.12  -0.10     0.03   0.12  -0.06
     7   6    -0.07   0.01  -0.01    -0.08   0.01   0.01     0.01  -0.02  -0.04
     8   6    -0.08  -0.07  -0.00     0.02   0.02   0.01     0.01  -0.02  -0.04
     9   7    -0.05  -0.10   0.03    -0.03   0.10  -0.10    -0.09   0.08  -0.06
    10   7     0.01   0.07   0.07     0.13   0.07   0.08     0.00  -0.11  -0.04
    11   6    -0.02   0.01  -0.01     0.10  -0.03  -0.00     0.03   0.01  -0.04
    12   6    -0.05   0.09  -0.01     0.01  -0.02  -0.00     0.02   0.01  -0.04
    13   7     0.03   0.13   0.07     0.08   0.02   0.08    -0.10  -0.03  -0.04
    14   1    -0.07  -0.06   0.02     0.03  -0.05   0.09    -0.01  -0.12  -0.03
    15   1    -0.09  -0.10  -0.05     0.14   0.05   0.01     0.12   0.02  -0.03
    16   1    -0.08   0.03  -0.06    -0.03  -0.05   0.07     0.09  -0.09  -0.03
    17   1    -0.04   0.04   0.04    -0.20  -0.03   0.03    -0.10  -0.06  -0.04
    18   1    -0.07  -0.02  -0.08     0.04  -0.06  -0.02     0.12   0.04  -0.04
    19   1     0.04  -0.06   0.01     0.18  -0.09  -0.04    -0.04   0.07  -0.04
    20   1    -0.06   0.05  -0.03    -0.03  -0.09  -0.08     0.03   0.11  -0.04
    21   1    -0.10   0.16  -0.04    -0.09   0.04   0.02     0.09  -0.05  -0.03
    22   1    -0.06  -0.03   0.06     0.05  -0.09  -0.05    -0.09   0.07  -0.05
    23   1    -0.01  -0.21   0.02     0.04  -0.03   0.04    -0.04  -0.08  -0.04
    24   1    -0.07   0.02   0.08    -0.03  -0.07   0.02    -0.11  -0.04  -0.04
    25   1     0.04   0.17   0.01    -0.08  -0.12  -0.04    -0.02   0.07  -0.04
    26   1     0.09  -0.07  -0.29    -0.08  -0.04   0.10     0.03  -0.11  -0.16
    27   1     0.30  -0.07  -0.09    -0.16  -0.03   0.02     0.17  -0.16  -0.02
    28   1     0.12  -0.01  -0.29    -0.01  -0.09   0.08     0.08   0.08  -0.17
    29   1     0.32  -0.09  -0.09    -0.06  -0.07   0.02     0.23   0.07  -0.02
    30   1     0.03   0.10   0.20     0.10  -0.02   0.21    -0.12   0.01  -0.19
    31   1     0.11   0.23   0.06     0.17   0.13   0.07    -0.24  -0.10  -0.02
    32   1    -0.02   0.07   0.18     0.10   0.07   0.23     0.05  -0.12  -0.18
    33   1     0.09   0.14   0.06     0.22   0.18   0.07    -0.05  -0.25  -0.02
    34   1    -0.08  -0.01   0.05    -0.04   0.10  -0.26     0.08   0.11  -0.22
    35   1    -0.05  -0.03   0.02    -0.14   0.27  -0.08     0.03   0.29  -0.03
    36   1    -0.05  -0.09   0.08    -0.06   0.07  -0.25    -0.13   0.04  -0.22
    37   1    -0.04  -0.14   0.02    -0.08   0.25  -0.08    -0.20   0.22  -0.03
                     10                     11                     12
                      A                      A                      A
 Frequencies --    251.8832               289.5113               290.1385
 Red. masses --      4.9302                 2.0243                 2.0434
 Frc consts  --      0.1843                 0.1000                 0.1013
 IR Inten    --      0.0006                 1.4305                 1.5222
 RamAct Fr= 1--     18.3636                 0.9325                 0.9587
  Dep-P Fr= 1--      0.0644                 0.7477                 0.7497
  Dep-U Fr= 1--      0.1209                 0.8556                 0.8570
 Alpha2 Fr= 1--      0.3505                 0.0000                 0.0000
 Beta2  Fr= 1--      0.3701                 0.1330                 0.1369
 AlphaG Fr= 1--      0.2342                -0.0000                -0.0000
 Gamma2 Fr= 1--      5.3017                 0.4242                 0.4031
 Delta2 Fr= 1--      0.4545                -0.1780                -0.1833
 Raman1 Fr= 1--      73.454                  3.730                  3.835
 ROA1   Fr= 1--     523.505                 35.024                 32.836
 CID1   Fr= 1--       7.127                  9.389                  8.563
 Raman2 Fr= 1--       4.441                  1.596                  1.643
 ROA2   Fr= 1--     123.604                 11.604                 11.142
 CID2   Fr= 1--      27.830                  7.272                  6.781
 Raman3 Fr= 1--       8.883                  3.192                  3.286
 ROA3   Fr= 1--     523.505                 35.024                 32.836
 CID3   Fr= 1--      58.935                 10.974                  9.992
 RC180  Fr= 1--      -0.758                  0.711                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.18   0.00     0.06  -0.07  -0.00    -0.05   0.09   0.01
     2   6     0.03   0.18  -0.00    -0.07  -0.07   0.01     0.08   0.04  -0.00
     3   7    -0.04   0.14  -0.02     0.04  -0.03  -0.03    -0.05  -0.01  -0.01
     4  45    -0.00  -0.00  -0.00    -0.02   0.03  -0.00    -0.03  -0.02   0.00
     5   7     0.08   0.12   0.02    -0.04   0.03  -0.01     0.05   0.01  -0.03
     6   7    -0.15   0.01   0.02     0.03  -0.01   0.03     0.01  -0.06   0.00
     7   6    -0.18  -0.05   0.00     0.04   0.03  -0.01     0.05   0.12  -0.01
     8   6    -0.17  -0.07  -0.00     0.02  -0.03  -0.00     0.12  -0.05   0.01
     9   7    -0.11  -0.10  -0.02    -0.03   0.01   0.02    -0.02   0.06  -0.02
    10   7     0.14  -0.04  -0.02     0.04   0.06   0.01     0.03  -0.01   0.03
    11   6     0.14  -0.11  -0.00     0.00  -0.13  -0.01     0.02  -0.03  -0.01
    12   6     0.13  -0.13   0.00     0.13   0.01   0.01     0.02   0.02  -0.00
    13   7     0.06  -0.13   0.02    -0.04  -0.05  -0.02    -0.03   0.00   0.03
    14   1    -0.15  -0.01   0.02     0.01  -0.10   0.01     0.11  -0.26   0.13
    15   1    -0.20  -0.08  -0.01     0.08  -0.03  -0.04     0.33  -0.06  -0.11
    16   1    -0.12  -0.08  -0.02     0.01   0.08  -0.06    -0.09   0.27  -0.11
    17   1    -0.21  -0.06   0.01     0.09   0.08   0.03     0.21   0.25   0.12
    18   1     0.08  -0.13   0.02    -0.19  -0.22  -0.12    -0.00  -0.06  -0.05
    19   1     0.17  -0.14  -0.01     0.10  -0.31   0.12     0.05  -0.08   0.02
    20   1     0.13  -0.07  -0.02     0.20   0.20   0.13     0.03   0.07  -0.00
    21   1     0.16  -0.15   0.01     0.32  -0.07  -0.11     0.05   0.01  -0.03
    22   1     0.06   0.13   0.02    -0.19   0.01   0.10     0.21  -0.06  -0.07
    23   1     0.03   0.22  -0.01    -0.15  -0.19  -0.07     0.16   0.17   0.09
    24   1    -0.00   0.15  -0.02     0.21  -0.03  -0.07    -0.19   0.07   0.11
    25   1     0.06   0.21   0.01     0.08  -0.20   0.08    -0.07   0.24  -0.08
    26   1     0.08   0.11   0.00    -0.01   0.10   0.05     0.01  -0.04  -0.15
    27   1     0.10   0.11   0.02    -0.10   0.04  -0.02     0.16  -0.01  -0.02
    28   1    -0.03   0.13   0.01     0.02   0.02  -0.14    -0.05  -0.09   0.06
    29   1    -0.06   0.14  -0.02     0.14  -0.06  -0.02    -0.12   0.00  -0.02
    30   1     0.05  -0.12  -0.00    -0.08   0.03  -0.16    -0.06   0.03   0.04
    31   1     0.04  -0.15   0.02    -0.12  -0.15  -0.01    -0.03   0.01   0.03
    32   1     0.12  -0.03   0.01    -0.05   0.10   0.13     0.02  -0.02   0.09
    33   1     0.15  -0.02  -0.02     0.12   0.15  -0.00     0.07   0.03   0.02
    34   1    -0.13   0.01  -0.00     0.02   0.00   0.10    -0.09  -0.07   0.12
    35   1    -0.15   0.04   0.02     0.06  -0.07   0.02     0.05  -0.17  -0.01
    36   1    -0.09  -0.09   0.01    -0.08  -0.01   0.02    -0.09   0.01  -0.16
    37   1    -0.09  -0.12  -0.02    -0.04   0.02   0.02    -0.05   0.19  -0.01
                     13                     14                     15
                      A                      A                      A
 Frequencies --    311.9051               332.0750               332.8181
 Red. masses --      1.7074                 3.3015                 3.3205
 Frc consts  --      0.0979                 0.2145                 0.2167
 IR Inten    --      0.0010                 6.6984                 6.7156
 RamAct Fr= 1--      2.6036                 2.6382                 2.6208
  Dep-P Fr= 1--      0.3782                 0.7496                 0.7499
  Dep-U Fr= 1--      0.5489                 0.8569                 0.8571
 Alpha2 Fr= 1--      0.0208                 0.0000                 0.0000
 Beta2  Fr= 1--      0.2382                 0.3768                 0.3744
 AlphaG Fr= 1--     -0.0557                -0.0000                 0.0000
 Gamma2 Fr= 1--     -3.0108                -3.2959                -3.3293
 Delta2 Fr= 1--     -0.2404                -0.1851                -0.1891
 Raman1 Fr= 1--      10.415                 10.553                 10.483
 ROA1   Fr= 1--    -296.731               -322.328               -325.663
 CID1   Fr= 1--     -28.492                -30.544                -31.065
 Raman2 Fr= 1--       2.858                  4.521                  4.492
 ROA2   Fr= 1--     -70.336                -77.620                -78.390
 CID2   Fr= 1--     -24.609                -17.168                -17.450
 Raman3 Fr= 1--       5.716                  9.042                  8.985
 ROA3   Fr= 1--    -296.731               -322.328               -325.663
 CID3   Fr= 1--     -51.909                -35.646                -36.246
 RC180  Fr= 1--       0.098                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.03   0.00    -0.05  -0.05   0.01    -0.08  -0.06  -0.00
     2   6     0.07   0.00  -0.00     0.02   0.01   0.01     0.06  -0.11  -0.00
     3   7    -0.05  -0.03   0.05     0.00   0.02   0.09    -0.03  -0.11   0.05
     4  45     0.00  -0.00  -0.00     0.09   0.01   0.00    -0.01   0.09  -0.00
     5   7     0.03  -0.05  -0.05    -0.01  -0.08   0.04    -0.01  -0.08  -0.10
     6   7     0.02   0.05  -0.05    -0.10  -0.04   0.06     0.03   0.01   0.09
     7   6     0.01  -0.06   0.00    -0.12   0.05  -0.00     0.02   0.01   0.01
     8   6    -0.03   0.06  -0.00    -0.05  -0.10  -0.00    -0.05  -0.04   0.01
     9   7     0.05  -0.03   0.05    -0.08  -0.02  -0.09    -0.07  -0.02   0.05
    10   7    -0.00   0.06   0.05    -0.08   0.07   0.00     0.03  -0.03  -0.11
    11   6    -0.03  -0.06  -0.00    -0.11   0.01  -0.01     0.06   0.01  -0.00
    12   6     0.05   0.04   0.00     0.00   0.05  -0.01     0.03  -0.11  -0.01
    13   7    -0.06  -0.00  -0.05    -0.02   0.02  -0.10     0.09  -0.07   0.01
    14   1    -0.03   0.18  -0.09    -0.03  -0.19   0.13    -0.06  -0.07  -0.01
    15   1    -0.17   0.06   0.07     0.09  -0.11  -0.09    -0.04  -0.05  -0.01
    16   1     0.09  -0.16   0.09    -0.17   0.13  -0.11     0.03   0.03  -0.06
    17   1    -0.10  -0.15  -0.08    -0.02   0.13   0.09     0.05   0.03   0.03
    18   1    -0.15  -0.12  -0.10    -0.17  -0.02  -0.05     0.11   0.07   0.12
    19   1     0.04  -0.18   0.08    -0.08  -0.06   0.05     0.01   0.11  -0.07
    20   1     0.10   0.16   0.10     0.05   0.09   0.11    -0.00  -0.18  -0.06
    21   1     0.18  -0.01  -0.08     0.10   0.02  -0.07    -0.06  -0.09   0.06
    22   1     0.18  -0.07  -0.10     0.05   0.02  -0.08     0.15  -0.15  -0.11
    23   1     0.14   0.13   0.08     0.05   0.07   0.04     0.13  -0.01   0.09
    24   1    -0.20   0.01   0.10    -0.09  -0.07   0.00    -0.18  -0.05   0.13
    25   1    -0.08   0.17  -0.08    -0.06  -0.03  -0.02    -0.11   0.08  -0.09
    26   1    -0.00  -0.11  -0.17    -0.02  -0.13   0.09    -0.05  -0.12  -0.29
    27   1     0.17  -0.06  -0.03    -0.06  -0.07   0.04     0.18  -0.15  -0.07
    28   1    -0.04  -0.10   0.17     0.03   0.03   0.24    -0.02  -0.18   0.18
    29   1    -0.17   0.00   0.03    -0.16   0.03   0.07    -0.17  -0.10   0.04
    30   1    -0.09   0.06  -0.17    -0.02   0.05  -0.29     0.12  -0.12   0.06
    31   1    -0.14  -0.11  -0.03    -0.17  -0.11  -0.08     0.13  -0.03   0.00
    32   1    -0.07   0.08   0.17    -0.13   0.11   0.03     0.06  -0.02  -0.30
    33   1     0.09   0.15   0.04    -0.06   0.11  -0.00    -0.09  -0.20  -0.08
    34   1     0.09   0.05  -0.17    -0.18  -0.04   0.20     0.04   0.03   0.22
    35   1    -0.03   0.17  -0.03    -0.07  -0.19   0.04     0.06  -0.13   0.07
    36   1     0.10   0.02   0.17    -0.13  -0.07  -0.28    -0.11  -0.03   0.13
    37   1     0.08  -0.15   0.03    -0.18   0.16  -0.07    -0.04  -0.09   0.04
                     16                     17                     18
                      A                      A                      A
 Frequencies --    402.3115               403.0990               403.5553
 Red. masses --      4.0000                 4.4349                 4.1794
 Frc consts  --      0.3814                 0.4246                 0.4010
 IR Inten    --      0.4422                 0.3988                 0.3922
 RamAct Fr= 1--      3.5521                 2.2587                 2.9806
  Dep-P Fr= 1--      0.7500                 0.7493                 0.7499
  Dep-U Fr= 1--      0.8571                 0.8567                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.5074                 0.3225                 0.4258
 AlphaG Fr= 1--     -0.0000                -0.0000                -0.0000
 Gamma2 Fr= 1--      0.7717                 0.5089                 0.6662
 Delta2 Fr= 1--      0.2199                 0.1387                 0.1822
 Raman1 Fr= 1--      14.209                  9.035                 11.922
 ROA1   Fr= 1--      81.118                 53.291                 69.784
 CID1   Fr= 1--       5.709                  5.899                  5.853
 Raman2 Fr= 1--       6.089                  3.870                  5.109
 ROA2   Fr= 1--      16.762                 11.104                 14.530
 CID2   Fr= 1--       2.753                  2.869                  2.844
 Raman3 Fr= 1--      12.178                  7.740                 10.219
 ROA3   Fr= 1--      81.118                 53.291                 69.784
 CID3   Fr= 1--       6.661                  6.885                  6.829
 RC180  Fr= 1--       0.714                  0.713                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.07  -0.04     0.01   0.10  -0.08    -0.00  -0.05   0.04
     2   6    -0.01  -0.03  -0.04    -0.04  -0.12  -0.08     0.02   0.05   0.04
     3   7    -0.04  -0.05  -0.02    -0.14  -0.17  -0.11     0.05   0.06   0.03
     4  45     0.00  -0.07   0.04     0.05   0.03   0.07    -0.06   0.02   0.06
     5   7    -0.04   0.12  -0.07    -0.05   0.18  -0.09     0.02  -0.08   0.03
     6   7     0.08   0.08   0.05    -0.10  -0.11  -0.08    -0.10  -0.11  -0.07
     7   6     0.06   0.03   0.05    -0.07  -0.04  -0.05    -0.08  -0.03  -0.07
     8   6    -0.06  -0.01   0.05     0.05   0.02  -0.05     0.11   0.02  -0.07
     9   7    -0.09   0.01   0.04     0.10  -0.02  -0.04     0.19  -0.03  -0.10
    10   7    -0.07   0.19  -0.10     0.01  -0.02   0.01    -0.04   0.11  -0.05
    11   6    -0.08   0.09  -0.07     0.01  -0.02   0.02    -0.04   0.04  -0.05
    12   6     0.07  -0.06  -0.07    -0.03   0.02   0.02     0.08  -0.05  -0.05
    13   7     0.16  -0.04  -0.07    -0.04   0.01   0.02     0.16  -0.04  -0.08
    14   1    -0.09  -0.00  -0.04     0.09   0.05   0.04     0.17   0.07   0.09
    15   1    -0.09   0.00   0.09     0.05   0.01  -0.07     0.14   0.00  -0.12
    16   1     0.09   0.05  -0.05    -0.14  -0.03   0.06    -0.14  -0.04   0.06
    17   1     0.08   0.06   0.09    -0.08  -0.05  -0.08    -0.09  -0.06  -0.11
    18   1    -0.15   0.13   0.09    -0.00  -0.04  -0.02    -0.09   0.06   0.04
    19   1    -0.08   0.13  -0.13     0.02  -0.04   0.05    -0.04   0.06  -0.09
    20   1     0.12  -0.11   0.07    -0.05   0.00  -0.02     0.11  -0.11   0.07
    21   1     0.11  -0.05  -0.12    -0.06   0.02   0.05     0.10  -0.05  -0.09
    22   1    -0.00  -0.06   0.02    -0.03  -0.21   0.10     0.04   0.06  -0.04
    23   1    -0.02  -0.04  -0.06    -0.07  -0.13  -0.14     0.04   0.07   0.08
    24   1     0.03   0.11   0.06     0.05   0.17   0.08     0.01  -0.08  -0.04
    25   1    -0.01   0.08  -0.06    -0.01   0.13  -0.13     0.01  -0.08   0.08
    26   1    -0.02   0.16  -0.07    -0.03   0.21   0.01     0.00  -0.04  -0.19
    27   1    -0.04   0.14  -0.07    -0.15   0.17  -0.09     0.20  -0.19   0.06
    28   1    -0.04  -0.06   0.01    -0.14  -0.23  -0.04     0.01   0.02  -0.19
    29   1    -0.06  -0.00  -0.02    -0.23  -0.17  -0.12     0.26   0.09   0.06
    30   1     0.15  -0.06   0.06     0.01   0.00  -0.18     0.19  -0.08  -0.06
    31   1     0.23   0.06  -0.08    -0.22  -0.07   0.05     0.20  -0.02  -0.09
    32   1    -0.11   0.20   0.01    -0.01   0.03  -0.20    -0.06   0.11  -0.00
    33   1    -0.02   0.30  -0.12    -0.06  -0.20   0.03     0.02   0.11  -0.05
    34   1     0.06   0.05  -0.16    -0.16  -0.13  -0.10    -0.13  -0.10   0.02
    35   1     0.09   0.29   0.08    -0.10  -0.10  -0.08    -0.05  -0.18  -0.07
    36   1    -0.05  -0.00  -0.18     0.13  -0.01  -0.04     0.24  -0.00  -0.03
    37   1    -0.21   0.18   0.07     0.05  -0.04  -0.04     0.24  -0.10  -0.11
                     19                     20                     21
                      A                      A                      A
 Frequencies --    462.0651               462.7682               505.7485
 Red. masses --      4.0278                 4.0376                 4.5179
 Frc consts  --      0.5067                 0.5094                 0.6809
 IR Inten    --      7.5279                 7.5500                 0.0010
 RamAct Fr= 1--      6.0936                 6.0992                50.3674
  Dep-P Fr= 1--      0.7500                 0.7500                 0.0021
  Dep-U Fr= 1--      0.8571                 0.8571                 0.0041
 Alpha2 Fr= 1--      0.0000                 0.0000                 1.1139
 Beta2  Fr= 1--      0.8705                 0.8713                 0.0345
 AlphaG Fr= 1--     -0.0000                 0.0000                -1.0445
 Gamma2 Fr= 1--      2.1069                 2.1204                -1.3768
 Delta2 Fr= 1--     -0.0676                -0.0771                 0.1176
 Raman1 Fr= 1--      24.374                 24.397                201.470
 ROA1   Fr= 1--     200.094                201.091               -128.410
 CID1   Fr= 1--       8.209                  8.243                 -0.637
 Raman2 Fr= 1--      10.446                 10.456                  0.414
 ROA2   Fr= 1--      51.105                 51.506                -33.984
 CID2   Fr= 1--       4.892                  4.926                -82.078
 Raman3 Fr= 1--      20.892                 20.911                  0.828
 ROA3   Fr= 1--     200.094                201.091               -128.410
 CID3   Fr= 1--       9.578                  9.616               -155.070
 RC180  Fr= 1--       0.714                  0.714                 -0.992
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.02   0.02    -0.03  -0.03   0.00     0.02   0.01   0.01
     2   6    -0.01   0.04   0.01     0.03  -0.01   0.01    -0.02   0.02  -0.01
     3   7    -0.05  -0.01  -0.09     0.16   0.08   0.18    -0.13  -0.06  -0.15
     4  45     0.03   0.01   0.00     0.01  -0.03   0.00     0.00  -0.00  -0.00
     5   7     0.08  -0.11   0.12    -0.09   0.08  -0.16     0.10  -0.11   0.15
     6   7    -0.05  -0.17  -0.20    -0.03  -0.05  -0.03     0.05   0.14   0.15
     7   6     0.03  -0.03  -0.01    -0.02  -0.01  -0.02    -0.02   0.01   0.01
     8   6     0.01   0.04   0.01     0.03   0.01  -0.02    -0.01  -0.02  -0.01
     9   7    -0.14   0.11   0.20     0.04  -0.01  -0.01     0.12  -0.08  -0.15
    10   7    -0.00   0.13  -0.11     0.02   0.13  -0.17     0.01   0.14  -0.15
    11   6     0.00   0.02  -0.02     0.04   0.00   0.00     0.02   0.01  -0.01
    12   6     0.02  -0.03  -0.01    -0.02  -0.03   0.01    -0.00  -0.03   0.01
    13   7    -0.03  -0.02   0.07    -0.18  -0.04   0.19    -0.14  -0.03   0.15
    14   1    -0.06  -0.10  -0.10     0.04   0.01   0.01     0.05   0.09   0.07
    15   1     0.04   0.06   0.03     0.03  -0.00  -0.04    -0.04  -0.04  -0.02
    16   1    -0.11   0.04   0.10    -0.04  -0.01   0.02     0.10  -0.05  -0.07
    17   1     0.07  -0.02  -0.03    -0.01  -0.02  -0.04    -0.07  -0.00   0.01
    18   1    -0.08   0.03   0.06    -0.09  -0.01   0.08    -0.11   0.00   0.07
    19   1     0.03   0.02  -0.04     0.07  -0.02  -0.01     0.06  -0.02  -0.02
    20   1     0.02   0.03  -0.03    -0.03   0.12  -0.10    -0.01   0.11  -0.07
    21   1     0.03  -0.04  -0.02     0.00  -0.06   0.04     0.04  -0.06   0.01
    22   1     0.04  -0.02   0.04    -0.04   0.11  -0.09     0.06  -0.09   0.07
    23   1    -0.00   0.06   0.02     0.03  -0.05   0.04    -0.01   0.06  -0.02
    24   1    -0.05  -0.08  -0.07     0.07   0.04   0.08    -0.09  -0.06  -0.07
    25   1     0.04   0.00   0.05    -0.04  -0.05  -0.01     0.03   0.06   0.01
    26   1     0.08  -0.16   0.19    -0.09   0.11  -0.25     0.10  -0.12   0.19
    27   1     0.01  -0.11   0.12     0.02   0.13  -0.16     0.01  -0.13   0.15
    28   1    -0.06  -0.01  -0.15     0.18   0.13   0.29    -0.14  -0.07  -0.19
    29   1    -0.00  -0.08  -0.09     0.05   0.14   0.17    -0.07  -0.12  -0.15
    30   1    -0.03  -0.03   0.12    -0.23  -0.00   0.30    -0.15  -0.03   0.20
    31   1    -0.04   0.05   0.08    -0.14   0.09   0.18    -0.12   0.06   0.15
    32   1    -0.03   0.16  -0.17     0.00   0.16  -0.27     0.00   0.15  -0.18
    33   1    -0.05   0.09  -0.10    -0.10   0.10  -0.17    -0.07   0.12  -0.15
    34   1    -0.09  -0.19  -0.32    -0.06  -0.06  -0.04     0.06   0.15   0.20
    35   1    -0.15  -0.07  -0.19    -0.02  -0.03  -0.02     0.11   0.08   0.15
    36   1    -0.20   0.10   0.32     0.07  -0.00  -0.01     0.13  -0.08  -0.18
    37   1    -0.17  -0.04   0.20     0.02  -0.02  -0.01     0.14  -0.00  -0.15
                     22                     23                     24
                      A                      A                      A
 Frequencies --    523.1981               558.3983               559.2010
 Red. masses --      1.5617                 1.8402                 1.8425
 Frc consts  --      0.2519                 0.3381                 0.3395
 IR Inten    --      3.2686                 3.4648                 3.3960
 RamAct Fr= 1--      0.0140                 0.3423                 0.3661
  Dep-P Fr= 1--      0.0098                 0.7473                 0.7387
  Dep-U Fr= 1--      0.0193                 0.8554                 0.8497
 Alpha2 Fr= 1--      0.0003                 0.0000                 0.0001
 Beta2  Fr= 1--      0.0000                 0.0488                 0.0518
 AlphaG Fr= 1--     -0.0002                -0.0000                -0.0000
 Gamma2 Fr= 1--     -0.0002                -0.6478                -0.6398
 Delta2 Fr= 1--      0.0000                -0.1428                -0.1447
 Raman1 Fr= 1--       0.056                  1.369                  1.464
 ROA1   Fr= 1--      -0.022                -66.760                -66.049
 CID1   Fr= 1--      -0.389                -48.753                -45.104
 Raman2 Fr= 1--       0.001                  0.586                  0.622
 ROA2   Fr= 1--      -0.006                -14.405                -14.198
 CID2   Fr= 1--     -11.296                -24.597                -22.821
 Raman3 Fr= 1--       0.001                  1.171                  1.244
 ROA3   Fr= 1--      -0.022                -66.760                -66.049
 CID3   Fr= 1--     -20.151                -56.997                -53.083
 RC180  Fr= 1--      -0.961                  0.711                  0.699
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.05  -0.05    -0.00  -0.01   0.02     0.02   0.06  -0.07
     2   6    -0.01  -0.05  -0.05    -0.00   0.03   0.02    -0.00  -0.06  -0.07
     3   7     0.04  -0.02   0.03    -0.03   0.00  -0.02     0.07  -0.00   0.07
     4  45     0.00   0.00  -0.00     0.00  -0.03  -0.00    -0.03  -0.00   0.00
     5   7     0.04   0.00   0.04    -0.02   0.01  -0.02     0.07  -0.03   0.08
     6   7    -0.02   0.03   0.03    -0.01   0.07   0.08     0.01  -0.02  -0.02
     7   6    -0.05  -0.02  -0.05    -0.06  -0.01  -0.07     0.02   0.00   0.01
     8   6     0.05   0.02  -0.05     0.06   0.03  -0.07    -0.01  -0.00   0.01
     9   7    -0.01   0.04   0.04    -0.03   0.06   0.08     0.01  -0.01  -0.01
    10   7    -0.03  -0.03   0.04     0.02   0.04  -0.05     0.03   0.05  -0.06
    11   6    -0.04   0.03  -0.05     0.03  -0.02   0.05     0.05  -0.03   0.05
    12   6     0.04  -0.03  -0.05    -0.03   0.04   0.05    -0.03   0.03   0.05
    13   7    -0.02  -0.04   0.03     0.04   0.03  -0.05     0.04   0.03  -0.06
    14   1     0.05  -0.13   0.07     0.05  -0.23   0.11    -0.01   0.05  -0.03
    15   1     0.19   0.00  -0.15     0.30   0.01  -0.23    -0.05   0.01   0.05
    16   1     0.04  -0.13   0.07     0.10  -0.21   0.11    -0.01   0.04  -0.02
    17   1    -0.15  -0.11  -0.15    -0.24  -0.18  -0.24     0.06   0.03   0.04
    18   1     0.09   0.11   0.07    -0.12  -0.11  -0.08    -0.13  -0.12  -0.08
    19   1    -0.10   0.16  -0.15     0.10  -0.17   0.16     0.13  -0.19   0.17
    20   1     0.10   0.10   0.07    -0.10  -0.13  -0.07    -0.10  -0.15  -0.09
    21   1     0.18  -0.08  -0.15    -0.19   0.09   0.16    -0.20   0.09   0.18
    22   1    -0.14   0.02   0.07     0.07  -0.02  -0.03    -0.22   0.07   0.11
    23   1    -0.09  -0.17  -0.14     0.04   0.09   0.07    -0.14  -0.25  -0.23
    24   1    -0.14   0.03   0.07     0.08  -0.00  -0.04    -0.23   0.02   0.11
    25   1    -0.02   0.19  -0.14     0.02  -0.09   0.08    -0.03   0.29  -0.23
    26   1     0.05  -0.04   0.22    -0.02   0.01  -0.09     0.09  -0.02   0.23
    27   1    -0.14   0.03   0.02     0.06   0.01  -0.02    -0.12  -0.05   0.07
    28   1     0.07   0.01   0.22    -0.03   0.01  -0.06     0.09  -0.01   0.23
    29   1    -0.14   0.03   0.02     0.01  -0.03  -0.02    -0.10   0.09   0.06
    30   1    -0.06  -0.03   0.22     0.04   0.05  -0.15     0.05   0.04  -0.19
    31   1     0.10   0.11   0.01    -0.01  -0.08  -0.05    -0.03  -0.11  -0.05
    32   1    -0.02  -0.07   0.23     0.03   0.05  -0.17     0.05   0.05  -0.17
    33   1     0.10   0.11   0.02    -0.10  -0.04  -0.04    -0.09  -0.02  -0.05
    34   1     0.01   0.07   0.22    -0.02   0.09   0.24     0.01  -0.02  -0.04
    35   1     0.05  -0.14   0.02     0.11  -0.09   0.07    -0.02  -0.00  -0.02
    36   1    -0.05   0.05   0.22    -0.03   0.09   0.23     0.01  -0.01  -0.06
    37   1     0.04  -0.14   0.02    -0.03  -0.13   0.07    -0.00   0.05  -0.01
                     25                     26                     27
                      A                      A                      A
 Frequencies --    676.1695               676.4235               713.9514
 Red. masses --      1.2961                 1.2962                 1.2647
 Frc consts  --      0.3491                 0.3494                 0.3798
 IR Inten    --      0.1365                 0.1366                 0.0008
 RamAct Fr= 1--      0.0979                 0.0968                 2.7767
  Dep-P Fr= 1--      0.7474                 0.7491                 0.1114
  Dep-U Fr= 1--      0.8555                 0.8566                 0.2005
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0473
 Beta2  Fr= 1--      0.0140                 0.0138                 0.0928
 AlphaG Fr= 1--      0.0000                 0.0000                 0.3364
 Gamma2 Fr= 1--     -0.1776                -0.1701                -3.1178
 Delta2 Fr= 1--      0.0803                 0.0798                -0.1605
 Raman1 Fr= 1--       0.392                  0.387                 11.107
 ROA1   Fr= 1--     -14.482                -13.778               -304.447
 CID1   Fr= 1--     -36.987                -35.596                -27.411
 Raman2 Fr= 1--       0.167                  0.166                  1.114
 ROA2   Fr= 1--      -4.905                 -4.721                -73.543
 CID2   Fr= 1--     -29.288                -28.479                -66.037
 Raman3 Fr= 1--       0.335                  0.332                  2.227
 ROA3   Fr= 1--     -14.482                -13.778               -304.447
 CID3   Fr= 1--     -43.237                -41.557               -136.687
 RC180  Fr= 1--       0.711                  0.713                 -0.599
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.02    -0.00  -0.01  -0.00     0.00  -0.01  -0.01
     2   6    -0.00  -0.01  -0.01    -0.00  -0.01   0.02    -0.00  -0.00   0.01
     3   7    -0.03  -0.01   0.05    -0.03   0.01   0.05    -0.04   0.00   0.05
     4  45     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
     5   7     0.00   0.01   0.00     0.04  -0.02  -0.07     0.03  -0.01  -0.04
     6   7     0.00   0.04  -0.06     0.01  -0.02   0.03    -0.00   0.03  -0.04
     7   6     0.01   0.01   0.01    -0.01  -0.00   0.02     0.00   0.01  -0.01
     8   6     0.00   0.00   0.02    -0.01  -0.00   0.00     0.00  -0.00   0.01
     9   7    -0.00  -0.01   0.02    -0.03   0.04  -0.07     0.02  -0.03   0.04
    10   7    -0.02  -0.04  -0.07    -0.00   0.02   0.02     0.02   0.03   0.04
    11   6     0.01  -0.01  -0.01    -0.00   0.01  -0.02     0.00   0.01   0.01
    12   6     0.01  -0.01   0.01     0.01  -0.00  -0.02    -0.01   0.00  -0.01
    13   7     0.03   0.03   0.06     0.03   0.01   0.04    -0.03  -0.02  -0.05
    14   1    -0.01   0.03  -0.04    -0.01  -0.07   0.05     0.00   0.06  -0.04
    15   1    -0.06   0.00   0.05     0.08   0.02  -0.00    -0.08  -0.02   0.03
    16   1     0.05  -0.03   0.04    -0.02   0.04  -0.05     0.04  -0.05   0.04
    17   1    -0.06  -0.02   0.01     0.06   0.04   0.05    -0.08  -0.03  -0.03
    18   1     0.07   0.03   0.06    -0.01   0.01   0.01    -0.06  -0.03  -0.04
    19   1    -0.06   0.07  -0.03     0.00   0.02  -0.04     0.06  -0.07   0.03
    20   1    -0.02  -0.06  -0.06     0.01  -0.03  -0.01     0.02   0.06   0.04
    21   1    -0.08   0.05   0.03    -0.01   0.02  -0.03     0.07  -0.05  -0.02
    22   1     0.02  -0.03  -0.03     0.05  -0.03  -0.05     0.05  -0.04  -0.04
    23   1     0.00   0.04  -0.02     0.03   0.08   0.04     0.02   0.09   0.03
    24   1    -0.02   0.01   0.02    -0.07  -0.02   0.06    -0.06  -0.01   0.04
    25   1    -0.01   0.03  -0.05     0.01   0.09  -0.02     0.01   0.09  -0.03
    26   1     0.00   0.02  -0.02     0.07  -0.12   0.34     0.06  -0.06   0.25
    27   1     0.00  -0.04   0.01    -0.29   0.25  -0.13    -0.23   0.15  -0.09
    28   1    -0.08  -0.07  -0.25    -0.08  -0.05  -0.24    -0.08  -0.03  -0.25
    29   1     0.26   0.11   0.10     0.25   0.07   0.09     0.27   0.05   0.09
    30   1     0.11   0.01  -0.29     0.08  -0.01  -0.19    -0.08  -0.02   0.25
    31   1    -0.29  -0.11   0.11    -0.22  -0.05   0.08     0.24   0.12  -0.09
    32   1     0.01  -0.13   0.33    -0.01   0.04  -0.09     0.01   0.08  -0.25
    33   1     0.08   0.36  -0.13     0.01  -0.11   0.04    -0.09  -0.25   0.09
    34   1     0.06   0.11   0.31    -0.02  -0.05  -0.16     0.02   0.08   0.24
    35   1    -0.08  -0.34  -0.12     0.01   0.17   0.06    -0.02  -0.26  -0.09
    36   1     0.02  -0.02  -0.09    -0.12   0.05   0.34     0.07  -0.05  -0.24
    37   1    -0.05   0.08   0.03     0.29  -0.24  -0.13    -0.18   0.20   0.09
                     28                     29                     30
                      A                      A                      A
 Frequencies --    750.4186               750.5760               762.8613
 Red. masses --      1.3993                 1.4003                 1.4761
 Frc consts  --      0.4643                 0.4648                 0.5061
 IR Inten    --      5.4075                 5.3568                17.8416
 RamAct Fr= 1--      0.5774                 0.5762                 0.0004
  Dep-P Fr= 1--      0.7500                 0.7497                 0.6396
  Dep-U Fr= 1--      0.8571                 0.8569                 0.7802
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0825                 0.0823                 0.0001
 AlphaG Fr= 1--      0.0000                 0.0000                -0.0000
 Gamma2 Fr= 1--      2.7916                 2.7833                 0.0020
 Delta2 Fr= 1--      0.0086                 0.0090                -0.0001
 Raman1 Fr= 1--       2.310                  2.305                  0.002
 ROA1   Fr= 1--     268.266                267.483                  0.190
 CID1   Fr= 1--     116.154                116.058                122.370
 Raman2 Fr= 1--       0.990                  0.987                  0.001
 ROA2   Fr= 1--      66.928                 66.726                  0.048
 CID2   Fr= 1--      67.619                 67.571                 79.892
 Raman3 Fr= 1--       1.980                  1.975                  0.001
 ROA3   Fr= 1--     268.266                267.483                  0.190
 CID3   Fr= 1--     135.518                135.435                156.843
 RC180  Fr= 1--       0.714                  0.714                  0.560
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.02     0.01  -0.00  -0.02    -0.03  -0.01   0.02
     2   6     0.01  -0.01  -0.03    -0.00  -0.02  -0.01    -0.02   0.02   0.02
     3   7    -0.02  -0.01   0.04    -0.05  -0.01   0.05     0.03  -0.01  -0.06
     4  45     0.01  -0.01   0.00     0.01   0.01  -0.00    -0.00   0.00   0.02
     5   7    -0.04   0.04   0.07     0.00   0.01   0.01     0.03  -0.00  -0.06
     6   7     0.01   0.03  -0.04    -0.00  -0.05   0.06    -0.02   0.03  -0.06
     7   6     0.01  -0.00   0.03    -0.02  -0.01  -0.01     0.02  -0.02   0.02
     8   6    -0.02  -0.01   0.02    -0.00   0.01  -0.02    -0.01  -0.03   0.02
     9   7    -0.04   0.04  -0.07     0.01   0.01   0.01    -0.00   0.03  -0.05
    10   7     0.01   0.03   0.02    -0.01  -0.05  -0.06    -0.02  -0.02  -0.06
    11   6    -0.01   0.01   0.01     0.02  -0.01   0.03     0.03   0.01   0.02
    12   6    -0.01   0.01  -0.00    -0.01   0.02   0.03     0.00   0.03   0.02
    13   7    -0.02  -0.02  -0.03    -0.05  -0.01  -0.06    -0.02  -0.03  -0.06
    14   1    -0.04  -0.03  -0.01     0.01  -0.04   0.05    -0.02   0.05  -0.08
    15   1     0.01   0.04   0.10     0.06  -0.01  -0.08    -0.07   0.02   0.14
    16   1     0.01   0.03  -0.05    -0.06   0.02  -0.02    -0.02   0.05  -0.08
    17   1     0.02   0.05   0.12     0.05   0.00  -0.04     0.04   0.06   0.14
    18   1    -0.05  -0.02  -0.04     0.03  -0.03  -0.03    -0.03  -0.04  -0.07
    19   1     0.04  -0.05   0.02    -0.02  -0.03   0.12     0.01  -0.07   0.15
    20   1     0.01   0.05   0.04    -0.03   0.02  -0.03    -0.04  -0.04  -0.08
    21   1     0.05  -0.03  -0.02    -0.03  -0.02   0.12    -0.07   0.01   0.15
    22   1    -0.03  -0.02   0.05     0.03  -0.05  -0.02     0.06  -0.01  -0.08
    23   1    -0.04  -0.03  -0.11    -0.00   0.05  -0.05     0.06   0.05   0.15
    24   1     0.03   0.04   0.01    -0.04   0.00   0.05     0.05  -0.01  -0.08
    25   1    -0.03  -0.02  -0.09    -0.02   0.06  -0.08     0.03  -0.06   0.15
    26   1    -0.08   0.11  -0.32     0.01   0.03  -0.02     0.04  -0.11   0.22
    27   1     0.27  -0.26   0.14     0.02  -0.05   0.02    -0.18   0.18  -0.10
    28   1    -0.06  -0.06  -0.16    -0.10  -0.05  -0.27     0.08   0.09   0.21
    29   1     0.20   0.10   0.08     0.30   0.11   0.11    -0.22  -0.10  -0.10
    30   1    -0.05  -0.03   0.16    -0.12   0.00   0.28    -0.11   0.02   0.21
    31   1     0.15   0.06  -0.06     0.34   0.08  -0.13     0.23   0.06  -0.10
    32   1     0.02   0.05  -0.15     0.02  -0.13   0.29     0.03  -0.11   0.22
    33   1    -0.04  -0.15   0.05     0.04   0.36  -0.13     0.03   0.25  -0.10
    34   1     0.06   0.07   0.18    -0.03  -0.10  -0.28     0.07   0.08   0.21
    35   1    -0.08  -0.22  -0.09     0.07   0.31   0.12    -0.06  -0.22  -0.10
    36   1    -0.12   0.06   0.33     0.03   0.01  -0.01    -0.11   0.02   0.20
    37   1     0.31  -0.24  -0.14    -0.04   0.00   0.02     0.18  -0.14  -0.10
                     31                     32                     33
                      A                      A                      A
 Frequencies --    865.5689               865.6170               867.4004
 Red. masses --      3.2256                 3.2250                 3.1378
 Frc consts  --      1.4239                 1.4237                 1.3910
 IR Inten    --     10.9253                10.9127                 0.0045
 RamAct Fr= 1--      0.8256                 0.8513                 9.0015
  Dep-P Fr= 1--      0.7478                 0.7493                 0.0844
  Dep-U Fr= 1--      0.8557                 0.8567                 0.1557
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.1637
 Beta2  Fr= 1--      0.1177                 0.1215                 0.2336
 AlphaG Fr= 1--     -0.0000                -0.0000                -0.0610
 Gamma2 Fr= 1--      0.8373                 0.8090                -1.9800
 Delta2 Fr= 1--      0.8793                 0.8748                -3.1550
 Raman1 Fr= 1--       3.302                  3.405                 36.006
 ROA1   Fr= 1--     108.517                105.654               -291.037
 CID1   Fr= 1--      32.861                 31.029                 -8.083
 Raman2 Fr= 1--       1.413                  1.459                  2.803
 ROA2   Fr= 1--      13.060                 12.417                -22.279
 CID2   Fr= 1--       9.244                  8.513                 -7.947
 Raman3 Fr= 1--       2.826                  2.917                  5.607
 ROA3   Fr= 1--     108.517                105.654               -291.037
 CID3   Fr= 1--      38.403                 36.220                -51.907
 RC180  Fr= 1--       0.711                  0.713                 -0.689
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.06   0.05     0.04   0.13  -0.12    -0.03  -0.11   0.09
     2   6    -0.02  -0.06  -0.06     0.00   0.15   0.11    -0.01  -0.11  -0.09
     3   7    -0.01   0.04  -0.01     0.04  -0.12   0.06    -0.03   0.09  -0.03
     4  45     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     5   7     0.05   0.06   0.04    -0.07  -0.09  -0.05     0.06   0.07   0.03
     6   7    -0.06   0.01   0.02    -0.12   0.02   0.06    -0.10   0.02   0.04
     7   6     0.08   0.02   0.08     0.13   0.01   0.10     0.11   0.02   0.09
     8   6     0.08   0.05  -0.06     0.12   0.05  -0.11     0.10   0.05  -0.09
     9   7    -0.06  -0.06  -0.04    -0.07  -0.07  -0.04    -0.07  -0.07  -0.03
    10   7    -0.13   0.03   0.06     0.03  -0.00  -0.01     0.09  -0.02  -0.03
    11   6     0.13  -0.09   0.13    -0.02  -0.00   0.00    -0.09   0.06  -0.09
    12   6     0.10  -0.13  -0.13    -0.01  -0.01   0.02    -0.07   0.08   0.08
    13   7    -0.05   0.13  -0.06     0.00   0.01  -0.01     0.04  -0.09   0.04
    14   1     0.03   0.03  -0.18     0.04   0.07  -0.36     0.04   0.07  -0.30
    15   1    -0.00   0.03  -0.05    -0.05   0.04  -0.03    -0.05   0.03  -0.03
    16   1     0.05  -0.02   0.25     0.06  -0.01   0.29     0.07  -0.03   0.28
    17   1    -0.01  -0.05   0.01     0.02  -0.04   0.07    -0.01  -0.05   0.04
    18   1     0.09  -0.01   0.41     0.01   0.01   0.02    -0.08   0.00  -0.29
    19   1     0.03   0.07   0.05    -0.02   0.02  -0.03    -0.00  -0.06  -0.03
    20   1     0.03  -0.08  -0.38     0.01   0.02   0.07    -0.01   0.07   0.27
    21   1    -0.05  -0.04  -0.07     0.03  -0.01  -0.02     0.05   0.02   0.04
    22   1     0.03  -0.04  -0.21    -0.02   0.07   0.33     0.04  -0.07  -0.28
    23   1     0.04   0.02   0.00    -0.06   0.01   0.06     0.05   0.02  -0.04
    24   1    -0.01  -0.03   0.12     0.06   0.06  -0.37    -0.06  -0.05   0.29
    25   1    -0.03  -0.01   0.05     0.05  -0.04  -0.04    -0.04   0.04   0.03
    26   1     0.04   0.04  -0.01    -0.06  -0.09   0.02     0.06   0.08   0.01
    27   1     0.10   0.08   0.04    -0.16  -0.19  -0.04     0.11   0.15   0.03
    28   1    -0.00   0.05   0.00     0.03  -0.11  -0.02    -0.02   0.09  -0.01
    29   1    -0.02   0.11  -0.01     0.10  -0.24   0.06    -0.05   0.18  -0.03
    30   1    -0.05   0.11   0.02     0.01  -0.00   0.00     0.04  -0.09   0.01
    31   1    -0.08   0.27  -0.06     0.02  -0.00  -0.01     0.07  -0.17   0.03
    32   1    -0.11   0.04  -0.02     0.01   0.00   0.01     0.09  -0.03  -0.01
    33   1    -0.28   0.05   0.05     0.03   0.02  -0.02     0.17  -0.05  -0.03
    34   1    -0.06   0.00  -0.01    -0.10   0.01  -0.02    -0.10   0.01   0.01
    35   1    -0.15   0.02   0.02    -0.23   0.07   0.06    -0.19   0.03   0.03
    36   1    -0.05  -0.05   0.02    -0.08  -0.06   0.02    -0.07  -0.07  -0.01
    37   1    -0.09  -0.14  -0.04    -0.15  -0.16  -0.04    -0.14  -0.13  -0.03
                     34                     35                     36
                      A                      A                      A
 Frequencies --    870.7715               872.6946               872.8134
 Red. masses --      2.6872                 2.4828                 2.4837
 Frc consts  --      1.2005                 1.1141                 1.1148
 IR Inten    --      5.7806                 0.1139                 0.1372
 RamAct Fr= 1--      0.0184                 2.7962                 2.8150
  Dep-P Fr= 1--      0.5630                 0.7498                 0.7490
  Dep-U Fr= 1--      0.7204                 0.8570                 0.8565
 Alpha2 Fr= 1--      0.0001                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0022                 0.3994                 0.4018
 AlphaG Fr= 1--      0.0000                -0.0000                -0.0000
 Gamma2 Fr= 1--     -0.0069                -0.9695                -0.9706
 Delta2 Fr= 1--     -0.0038                -0.5299                -0.5276
 Raman1 Fr= 1--       0.073                 11.185                 11.260
 ROA1   Fr= 1--      -0.789               -110.028               -110.061
 CID1   Fr= 1--     -10.739                 -9.837                 -9.775
 Raman2 Fr= 1--       0.026                  4.793                  4.822
 ROA2   Fr= 1--      -0.136                -19.028                -19.073
 CID2   Fr= 1--      -5.127                 -3.970                 -3.955
 Raman3 Fr= 1--       0.053                  9.586                  9.644
 ROA3   Fr= 1--      -0.789               -110.028               -110.061
 CID3   Fr= 1--     -14.906                -11.478                -11.412
 RC180  Fr= 1--       0.441                  0.714                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07  -0.01   0.05    -0.03  -0.01  -0.00     0.12  -0.02   0.07
     2   6     0.07  -0.02   0.05    -0.03  -0.01  -0.03     0.11  -0.03   0.06
     3   7    -0.03   0.08  -0.06     0.01  -0.02   0.01    -0.07   0.13  -0.06
     4  45    -0.00   0.00   0.01    -0.00  -0.01   0.00     0.01  -0.00   0.00
     5   7    -0.06  -0.06  -0.06     0.04   0.03   0.01    -0.11  -0.08  -0.06
     6   7     0.10  -0.03  -0.07    -0.08   0.03   0.04    -0.09   0.04   0.03
     7   6    -0.03   0.08   0.06     0.02  -0.08  -0.05     0.04  -0.07  -0.04
     8   6    -0.02   0.09   0.06     0.01  -0.08  -0.03     0.03  -0.07  -0.05
     9   7    -0.07  -0.08  -0.07     0.05   0.09   0.04     0.04   0.07   0.04
    10   7     0.10  -0.02  -0.06     0.14  -0.00  -0.06    -0.04  -0.00   0.01
    11   6    -0.06  -0.06   0.05    -0.08  -0.08   0.06     0.03   0.00   0.00
    12   6    -0.05  -0.06   0.06    -0.07  -0.09   0.06     0.03   0.01  -0.02
    13   7    -0.03   0.09  -0.06    -0.02   0.14  -0.05     0.00  -0.01   0.01
    14   1    -0.00  -0.11   0.27    -0.01   0.08  -0.22     0.00   0.10  -0.28
    15   1     0.16   0.02  -0.15    -0.12   0.00   0.18    -0.15  -0.00   0.18
    16   1     0.07  -0.08   0.29    -0.07   0.08  -0.30    -0.04   0.06  -0.22
    17   1    -0.14  -0.08  -0.15     0.12   0.09   0.18     0.09   0.07   0.18
    18   1     0.08   0.04   0.25     0.11   0.07   0.37     0.00  -0.01  -0.02
    19   1    -0.09   0.11  -0.14    -0.10   0.17  -0.25     0.00  -0.01   0.06
    20   1     0.03   0.10   0.27     0.05   0.12   0.36    -0.01  -0.05  -0.13
    21   1     0.13  -0.08  -0.14     0.17  -0.07  -0.25    -0.06   0.03   0.05
    22   1    -0.07   0.05   0.23     0.04  -0.03  -0.15    -0.11   0.06   0.36
    23   1    -0.05  -0.13  -0.12     0.03   0.07   0.06    -0.10  -0.17  -0.26
    24   1    -0.09  -0.02   0.23     0.01  -0.01  -0.04    -0.14  -0.02   0.39
    25   1     0.00   0.13  -0.12     0.01  -0.02   0.07    -0.02   0.20  -0.26
    26   1    -0.03  -0.00   0.03     0.04   0.01   0.04    -0.07   0.04  -0.08
    27   1    -0.12   0.04  -0.08     0.02   0.03   0.01    -0.07   0.00  -0.07
    28   1    -0.02   0.01   0.03     0.01   0.03   0.01    -0.09   0.00  -0.09
    29   1    -0.13   0.01  -0.08     0.02   0.02   0.02    -0.06   0.03  -0.07
    30   1     0.02   0.02   0.02     0.07   0.05  -0.09    -0.02   0.02   0.01
    31   1     0.10   0.08  -0.09     0.03   0.06  -0.06    -0.02   0.01   0.01
    32   1     0.03   0.02   0.02     0.04   0.07  -0.09    -0.04  -0.01   0.04
    33   1     0.08   0.11  -0.09     0.05   0.04  -0.07    -0.03   0.02   0.01
    34   1     0.01  -0.03   0.01     0.02   0.06   0.05    -0.02   0.06   0.08
    35   1     0.02  -0.13  -0.09    -0.01   0.04   0.05    -0.03   0.02   0.04
    36   1     0.01  -0.04   0.02    -0.02   0.07   0.07    -0.04   0.04   0.06
    37   1     0.06  -0.13  -0.09     0.02   0.05   0.04    -0.01   0.04   0.04
                     37                     38                     39
                      A                      A                      A
 Frequencies --    982.2636               983.2499               983.4669
 Red. masses --      2.1967                 2.2058                 2.2003
 Frc consts  --      1.2488                 1.2565                 1.2539
 IR Inten    --      3.4569                 3.4396                 3.7059
 RamAct Fr= 1--      0.0436                 5.2653                 5.3121
  Dep-P Fr= 1--      0.7495                 0.7500                 0.7500
  Dep-U Fr= 1--      0.8568                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0062                 0.7522                 0.7589
 AlphaG Fr= 1--     -0.0000                -0.0000                 0.0000
 Gamma2 Fr= 1--     -0.0008                -0.3723                -0.3478
 Delta2 Fr= 1--      0.0094                 1.0802                 1.0805
 Raman1 Fr= 1--       0.174                 21.061                 21.248
 ROA1   Fr= 1--       0.219                 -1.174                  1.189
 CID1   Fr= 1--       1.256                 -0.056                  0.056
 Raman2 Fr= 1--       0.075                  9.026                  9.106
 ROA2   Fr= 1--      -0.096                -17.576                -16.991
 CID2   Fr= 1--      -1.278                 -1.947                 -1.866
 Raman3 Fr= 1--       0.150                 18.052                 18.213
 ROA3   Fr= 1--       0.219                 -1.174                  1.189
 CID3   Fr= 1--       1.466                 -0.065                  0.065
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.10   0.00     0.02   0.10   0.01    -0.04  -0.14   0.00
     2   6     0.02   0.11   0.00    -0.01  -0.10  -0.01     0.03   0.15  -0.00
     3   7     0.00  -0.05  -0.00    -0.00   0.05  -0.00     0.00  -0.07   0.00
     4  45    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     5   7     0.02   0.04  -0.00    -0.02  -0.04  -0.00     0.03   0.06   0.00
     6   7    -0.06  -0.00   0.00    -0.08  -0.01   0.00    -0.00  -0.00   0.00
     7   6     0.13   0.04   0.00     0.15   0.05  -0.00     0.01   0.01  -0.01
     8   6    -0.12  -0.05   0.00    -0.15  -0.06   0.00    -0.00  -0.01   0.01
     9   7     0.05   0.03   0.00     0.06   0.04   0.00     0.00   0.00   0.00
    10   7    -0.05   0.02  -0.00     0.04  -0.02  -0.00     0.06  -0.03  -0.00
    11   6     0.09  -0.08   0.00    -0.07   0.06   0.01    -0.11   0.09  -0.00
    12   6    -0.09   0.08   0.00     0.06  -0.06  -0.01     0.11  -0.09   0.00
    13   7     0.03  -0.04  -0.00    -0.03   0.04  -0.00    -0.04   0.06  -0.00
    14   1    -0.15  -0.24   0.09    -0.17  -0.29   0.10    -0.00   0.01  -0.01
    15   1     0.10  -0.07  -0.16     0.11  -0.09  -0.20    -0.03  -0.02   0.00
    16   1     0.27  -0.11   0.09     0.32  -0.12   0.11     0.04  -0.03   0.02
    17   1    -0.04  -0.12  -0.16    -0.04  -0.14  -0.21    -0.04  -0.02  -0.03
    18   1     0.26  -0.00   0.08    -0.21  -0.00  -0.07    -0.29   0.01  -0.08
    19   1     0.01   0.11  -0.14     0.01  -0.10   0.13    -0.04  -0.12   0.17
    20   1    -0.04   0.26   0.09     0.03  -0.17  -0.05     0.04  -0.32  -0.10
    21   1     0.11   0.02  -0.15    -0.06  -0.04   0.10    -0.15  -0.02   0.19
    22   1    -0.12   0.20   0.08     0.08  -0.17  -0.05    -0.16   0.29   0.10
    23   1    -0.09  -0.05  -0.13     0.08   0.00   0.11    -0.13  -0.07  -0.20
    24   1    -0.18  -0.14   0.07     0.19   0.14  -0.08    -0.23  -0.19   0.09
    25   1    -0.07   0.07  -0.13     0.06  -0.10   0.14    -0.10   0.08  -0.18
    26   1     0.04   0.09  -0.01    -0.04  -0.13   0.02     0.04   0.11  -0.04
    27   1     0.05   0.14  -0.01    -0.04  -0.09   0.00     0.10   0.19  -0.01
    28   1    -0.00  -0.11  -0.01     0.00   0.06   0.02    -0.01  -0.17  -0.04
    29   1    -0.01  -0.14  -0.01    -0.01   0.16   0.01     0.01  -0.18  -0.01
    30   1     0.08  -0.10  -0.01    -0.03   0.04   0.02    -0.11   0.13   0.04
    31   1     0.10  -0.12  -0.01    -0.08   0.12   0.01    -0.09   0.14   0.01
    32   1    -0.10   0.06  -0.01     0.10  -0.07   0.02     0.09  -0.06   0.04
    33   1    -0.14   0.09  -0.01     0.08  -0.04   0.00     0.19  -0.09   0.01
    34   1    -0.13  -0.02  -0.02    -0.16  -0.03  -0.04    -0.06  -0.01  -0.00
    35   1    -0.17  -0.03  -0.01    -0.21  -0.01  -0.01     0.02  -0.00   0.00
    36   1     0.11   0.06  -0.01     0.13   0.07  -0.04    -0.04  -0.02  -0.00
    37   1     0.16   0.08  -0.01     0.18   0.12  -0.01     0.04   0.03  -0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --    996.8252               997.2795              1009.6920
 Red. masses --      1.2460                 1.2452                 1.2697
 Frc consts  --      0.7295                 0.7297                 0.7626
 IR Inten    --      9.0990                 9.4826                 0.0002
 RamAct Fr= 1--      0.1255                 0.1208                 1.4851
  Dep-P Fr= 1--      0.7497                 0.7498                 0.0883
  Dep-U Fr= 1--      0.8569                 0.8570                 0.1623
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0268
 Beta2  Fr= 1--      0.0179                 0.0173                 0.0402
 AlphaG Fr= 1--     -0.0000                 0.0000                -0.2715
 Gamma2 Fr= 1--      0.7030                 0.7403                -1.2430
 Delta2 Fr= 1--      0.1890                 0.1791                 0.3020
 Raman1 Fr= 1--       0.502                  0.483                  5.941
 ROA1   Fr= 1--      73.536                 76.799               -109.669
 CID1   Fr= 1--     146.535                158.978                -18.461
 Raman2 Fr= 1--       0.215                  0.207                  0.482
 ROA2   Fr= 1--      15.361                 16.335                -32.249
 CID2   Fr= 1--      71.440                 78.911                -66.881
 Raman3 Fr= 1--       0.430                  0.414                  0.964
 ROA3   Fr= 1--      73.536                 76.799               -109.669
 CID3   Fr= 1--     171.001                185.505               -113.721
 RC180  Fr= 1--       0.714                  0.714                 -0.675
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.03  -0.02     0.05  -0.02  -0.03     0.05  -0.02  -0.03
     2   6    -0.04   0.01   0.02    -0.06  -0.01   0.03    -0.05  -0.00   0.03
     3   7     0.01  -0.00  -0.01     0.01  -0.00   0.00     0.02  -0.00  -0.00
     4  45    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   7    -0.01   0.00  -0.00    -0.01  -0.00   0.00    -0.02   0.00   0.00
     6   7    -0.01   0.02  -0.00     0.00  -0.00  -0.00     0.01  -0.01   0.00
     7   6     0.01  -0.07   0.04     0.01   0.02  -0.00    -0.00   0.05  -0.03
     8   6    -0.05   0.06  -0.03    -0.00  -0.01   0.01     0.03  -0.04   0.03
     9   7     0.00  -0.02   0.00    -0.00   0.00  -0.01    -0.00   0.02  -0.00
    10   7    -0.00  -0.00   0.00     0.01   0.01   0.00    -0.01  -0.01  -0.00
    11   6     0.00   0.03   0.01    -0.03  -0.06  -0.03     0.02   0.05   0.03
    12   6    -0.01  -0.02  -0.01     0.06   0.04   0.03    -0.04  -0.03  -0.03
    13   7     0.00   0.01   0.01    -0.01  -0.01   0.00     0.01   0.01   0.00
    14   1    -0.05  -0.20   0.15    -0.01   0.00  -0.01     0.03   0.14  -0.10
    15   1     0.27   0.11  -0.11    -0.03  -0.02   0.01    -0.18  -0.08   0.08
    16   1    -0.14   0.12  -0.14     0.06  -0.04   0.04     0.11  -0.09   0.10
    17   1     0.28   0.07   0.10    -0.06  -0.02  -0.03    -0.19  -0.05  -0.08
    18   1    -0.10  -0.02  -0.06     0.17   0.05   0.14    -0.14  -0.04  -0.10
    19   1     0.08  -0.07   0.05    -0.22   0.17  -0.10     0.16  -0.12   0.08
    20   1     0.01   0.03   0.03    -0.03  -0.19  -0.14     0.02   0.14   0.10
    21   1     0.06  -0.07  -0.03    -0.20   0.20   0.10     0.14  -0.15  -0.08
    22   1     0.07  -0.06  -0.08     0.12  -0.13  -0.12     0.10  -0.10  -0.10
    23   1     0.02   0.18   0.06     0.03   0.23   0.09     0.02   0.20   0.08
    24   1    -0.14  -0.06   0.11    -0.12  -0.04   0.10    -0.13  -0.05   0.10
    25   1     0.05   0.19  -0.08     0.06   0.21  -0.08     0.06   0.20  -0.08
    26   1     0.06   0.22  -0.02     0.05   0.23  -0.03     0.05   0.23  -0.04
    27   1    -0.08  -0.11   0.01    -0.07  -0.17   0.03    -0.06  -0.16   0.02
    28   1     0.03   0.19   0.02     0.04   0.26   0.02     0.04   0.23   0.04
    29   1    -0.01  -0.16  -0.02     0.03  -0.16  -0.01    -0.01  -0.17  -0.02
    30   1     0.07  -0.06  -0.01    -0.23   0.22   0.03     0.17  -0.16  -0.04
    31   1    -0.07   0.06   0.02     0.11  -0.18  -0.02    -0.11   0.13   0.02
    32   1     0.10  -0.08   0.01    -0.24   0.19  -0.03     0.18  -0.15   0.04
    33   1    -0.07   0.01   0.00     0.19  -0.10   0.03    -0.14   0.09  -0.02
    34   1     0.31   0.09   0.03    -0.08  -0.02  -0.00    -0.22  -0.07  -0.04
    35   1    -0.23  -0.02  -0.03     0.03  -0.02  -0.01     0.17   0.03   0.02
    36   1     0.31   0.12  -0.03    -0.03  -0.01   0.01    -0.21  -0.08   0.04
    37   1    -0.18  -0.13   0.02     0.06   0.01  -0.01     0.15   0.08  -0.02
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1047.5131              1047.6047              1050.7942
 Red. masses --      3.1933                 3.1927                 3.1353
 Frc consts  --      2.0645                 2.0645                 2.0397
 IR Inten    --     68.9239                68.6282                 0.0195
 RamAct Fr= 1--      0.6712                 0.6747                 2.3738
  Dep-P Fr= 1--      0.7494                 0.7499                 0.3017
  Dep-U Fr= 1--      0.8567                 0.8571                 0.4635
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0242
 Beta2  Fr= 1--      0.0958                 0.0964                 0.1834
 AlphaG Fr= 1--     -0.0000                -0.0000                -0.0924
 Gamma2 Fr= 1--      2.0085                 2.0245                 1.0882
 Delta2 Fr= 1--      0.9855                 0.9923                 1.4724
 Raman1 Fr= 1--       2.685                  2.699                  9.495
 ROA1   Fr= 1--     224.351                226.104                151.584
 CID1   Fr= 1--      83.567                 83.778                 15.964
 Raman2 Fr= 1--       1.150                  1.157                  2.201
 ROA2   Fr= 1--      40.319                 40.649                 14.338
 CID2   Fr= 1--      35.059                 35.146                  6.516
 Raman3 Fr= 1--       2.300                  2.313                  4.401
 ROA3   Fr= 1--     224.351                226.104                151.584
 CID3   Fr= 1--      97.540                 97.745                 34.442
 RC180  Fr= 1--       0.713                  0.714                 -0.073
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.03   0.06     0.10   0.06   0.17     0.08   0.05   0.13
     2   6    -0.03   0.03  -0.06    -0.07   0.09  -0.17    -0.05   0.07  -0.13
     3   7     0.01  -0.04   0.01     0.03  -0.11   0.01     0.03  -0.08   0.01
     4  45     0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     5   7    -0.03  -0.04  -0.00    -0.07  -0.09  -0.01    -0.06  -0.07  -0.01
     6   7    -0.12   0.02   0.01    -0.02   0.00   0.00     0.08  -0.01  -0.01
     7   6     0.11  -0.06  -0.18     0.01  -0.01  -0.03    -0.07   0.04   0.12
     8   6     0.05   0.11   0.18     0.01   0.02   0.03    -0.03  -0.08  -0.12
     9   7    -0.09  -0.09  -0.01    -0.01  -0.02  -0.00     0.06   0.06   0.01
    10   7    -0.08   0.02   0.01     0.09  -0.03  -0.01    -0.09   0.02   0.01
    11   6     0.08   0.01  -0.11    -0.09  -0.01   0.14     0.09   0.01  -0.13
    12   6     0.00  -0.07   0.11    -0.01   0.10  -0.14     0.00  -0.09   0.13
    13   7    -0.03   0.07  -0.01     0.04  -0.09   0.01    -0.03   0.08  -0.01
    14   1     0.11   0.10   0.35     0.02   0.03   0.06    -0.08  -0.08  -0.26
    15   1     0.13   0.15   0.22     0.01   0.02   0.02    -0.09  -0.10  -0.15
    16   1     0.15  -0.02  -0.35     0.01   0.00  -0.05    -0.11   0.01   0.26
    17   1     0.19  -0.04  -0.22     0.04  -0.01  -0.04    -0.14   0.03   0.15
    18   1     0.10  -0.03  -0.22    -0.10   0.03   0.27     0.11  -0.03  -0.26
    19   1     0.11  -0.02  -0.13    -0.16   0.03   0.18     0.14  -0.03  -0.15
    20   1     0.03  -0.07   0.21    -0.05   0.12  -0.28     0.05  -0.11   0.27
    21   1     0.04  -0.12   0.14    -0.04   0.14  -0.17     0.04  -0.13   0.15
    22   1    -0.01   0.04  -0.12    -0.04   0.14  -0.33    -0.03   0.11  -0.27
    23   1    -0.03   0.08  -0.09    -0.06   0.17  -0.20    -0.05   0.14  -0.15
    24   1     0.04   0.05   0.13     0.08   0.11   0.33     0.07   0.09   0.27
    25   1     0.04   0.04   0.07     0.12   0.13   0.20     0.10   0.11   0.15
    26   1    -0.03  -0.03  -0.02    -0.06  -0.03  -0.04    -0.05  -0.02  -0.02
    27   1     0.01   0.07  -0.02    -0.00   0.15  -0.05    -0.01   0.09  -0.03
    28   1     0.02  -0.00   0.02     0.04  -0.06   0.04     0.03  -0.04   0.02
    29   1     0.03   0.04   0.02     0.06   0.15   0.05     0.04   0.07   0.03
    30   1     0.01   0.03  -0.03     0.01  -0.07   0.04     0.00   0.05  -0.02
    31   1     0.08  -0.04  -0.03    -0.12   0.07   0.04     0.08  -0.03  -0.03
    32   1    -0.06  -0.00   0.03     0.05   0.02  -0.04    -0.05  -0.01   0.02
    33   1     0.07  -0.08   0.03    -0.07   0.10  -0.04     0.04  -0.07   0.03
    34   1    -0.06   0.04   0.05     0.01   0.01   0.01     0.04  -0.03  -0.02
    35   1     0.14   0.08   0.05     0.01   0.01   0.01    -0.06  -0.05  -0.03
    36   1    -0.02  -0.07  -0.05    -0.02  -0.02  -0.01     0.01   0.05   0.02
    37   1     0.16   0.02  -0.05     0.03   0.01  -0.01    -0.08  -0.00   0.03
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1108.4617              1117.7034              1118.3114
 Red. masses --      1.0212                 1.0268                 1.0266
 Frc consts  --      0.7393                 0.7557                 0.7565
 IR Inten    --      0.9199                 0.0040                 0.0027
 RamAct Fr= 1--      0.0013                 0.7089                 0.7012
  Dep-P Fr= 1--      0.6181                 0.7500                 0.7499
  Dep-U Fr= 1--      0.7640                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0002                 0.1013                 0.1002
 AlphaG Fr= 1--     -0.0000                 0.0000                -0.0000
 Gamma2 Fr= 1--     -0.0009                -0.6691                -0.6587
 Delta2 Fr= 1--     -0.0003                -0.3882                -0.3774
 Raman1 Fr= 1--       0.005                  2.836                  2.805
 ROA1   Fr= 1--      -0.092                -76.657                -75.309
 CID1   Fr= 1--     -17.540                -27.034                -26.848
 Raman2 Fr= 1--       0.002                  1.215                  1.202
 ROA2   Fr= 1--      -0.018                -12.953                -12.788
 CID2   Fr= 1--      -9.163                -10.659                -10.639
 Raman3 Fr= 1--       0.004                  2.430                  2.404
 ROA3   Fr= 1--      -0.092                -76.657                -75.309
 CID3   Fr= 1--     -22.959                -31.540                -31.326
 RC180  Fr= 1--       0.528                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00   0.01  -0.00    -0.00  -0.00   0.01
     2   6     0.00  -0.00   0.00    -0.00  -0.01  -0.01     0.00   0.00  -0.00
     3   7    -0.00  -0.01   0.00     0.00  -0.01   0.01    -0.00   0.00  -0.01
     4  45     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     5   7     0.00   0.01   0.00     0.01   0.01   0.01    -0.00  -0.01  -0.01
     6   7    -0.01  -0.00   0.00     0.01  -0.00  -0.01     0.00  -0.00  -0.01
     7   6    -0.00   0.00  -0.00     0.01   0.00   0.01     0.00   0.00  -0.00
     8   6    -0.00   0.00   0.00    -0.01  -0.00   0.00    -0.00  -0.00   0.01
     9   7     0.01   0.00   0.00    -0.01  -0.01  -0.01    -0.01  -0.01  -0.01
    10   7    -0.01   0.01   0.00     0.00  -0.00   0.00    -0.01   0.00   0.01
    11   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.01   0.01  -0.00
    12   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.01  -0.00  -0.01
    13   7     0.01  -0.01   0.00     0.00  -0.00   0.00     0.00  -0.01   0.01
    14   1     0.05   0.09   0.09    -0.07  -0.10  -0.09    -0.03  -0.04  -0.05
    15   1    -0.11  -0.13  -0.18     0.14   0.15   0.20     0.07   0.08   0.11
    16   1    -0.10   0.04   0.09     0.11  -0.03  -0.09     0.07  -0.03  -0.05
    17   1     0.16  -0.04  -0.18    -0.20   0.04   0.20    -0.11   0.02   0.10
    18   1    -0.10   0.00   0.09    -0.02  -0.00   0.00    -0.14   0.01   0.11
    19   1     0.15  -0.03  -0.17     0.01  -0.00  -0.00     0.23  -0.05  -0.24
    20   1     0.02  -0.10   0.09     0.00   0.01   0.00     0.03  -0.14   0.11
    21   1    -0.04   0.15  -0.17    -0.00   0.01  -0.02    -0.08   0.22  -0.24
    22   1     0.05  -0.09   0.09     0.05  -0.10   0.09    -0.04   0.07  -0.05
    23   1    -0.06   0.15  -0.17    -0.06   0.19  -0.20     0.04  -0.11   0.11
    24   1     0.08   0.06   0.09     0.10   0.08   0.09    -0.04  -0.04  -0.05
    25   1    -0.11  -0.11  -0.17    -0.13  -0.16  -0.20     0.08   0.09   0.12
    26   1    -0.08  -0.26   0.01    -0.10  -0.32  -0.00     0.05   0.18   0.00
    27   1     0.09   0.09   0.00     0.11   0.17  -0.00    -0.08  -0.09  -0.00
    28   1     0.02   0.27   0.01     0.03   0.32  -0.00    -0.02  -0.20  -0.00
    29   1     0.05  -0.12   0.00     0.05  -0.19  -0.00    -0.01   0.12   0.01
    30   1    -0.18   0.20   0.01    -0.01   0.01  -0.00    -0.26   0.28  -0.00
    31   1     0.03  -0.12   0.00    -0.01  -0.01   0.00     0.10  -0.21  -0.00
    32   1     0.22  -0.15   0.01     0.02  -0.01   0.00     0.31  -0.22  -0.00
    33   1    -0.13   0.01   0.00    -0.01   0.02  -0.00    -0.22   0.07  -0.00
    34   1     0.28   0.06   0.01    -0.31  -0.07   0.00    -0.17  -0.04  -0.00
    35   1    -0.13   0.04   0.00     0.19  -0.02   0.00     0.11   0.01   0.01
    36   1    -0.26  -0.12   0.01     0.30   0.13   0.00     0.15   0.07   0.01
    37   1     0.08   0.11  -0.00    -0.16  -0.13   0.01    -0.07  -0.08  -0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1171.7747              1172.1504              1193.0513
 Red. masses --      1.0716                 1.0712                 1.0616
 Frc consts  --      0.8669                 0.8671                 0.8903
 IR Inten    --     69.5740                69.4777                 0.0021
 RamAct Fr= 1--     10.0729                10.0629                 7.7823
  Dep-P Fr= 1--      0.7500                 0.7500                 0.2306
  Dep-U Fr= 1--      0.8571                 0.8571                 0.3747
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0973
 Beta2  Fr= 1--      1.4390                 1.4375                 0.4860
 AlphaG Fr= 1--      0.0000                 0.0000                -0.1856
 Gamma2 Fr= 1--      1.7165                 1.7636                -0.7366
 Delta2 Fr= 1--      5.7566                 5.7640                -5.2622
 Raman1 Fr= 1--      40.291                 40.251                 31.129
 ROA1   Fr= 1--     348.999                353.755               -239.102
 CID1   Fr= 1--       8.662                  8.789                 -7.681
 Raman2 Fr= 1--      17.268                 17.251                  5.832
 ROA2   Fr= 1--      -4.855                 -3.786                 24.420
 CID2   Fr= 1--      -0.281                 -0.219                  4.187
 Raman3 Fr= 1--      34.535                 34.501                 11.665
 ROA3   Fr= 1--     348.999                353.755               -239.102
 CID3   Fr= 1--      10.106                 10.253                -20.498
 RC180  Fr= 1--       0.714                  0.714                 -0.251
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.01
     2   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.01
     3   7    -0.00  -0.01  -0.00    -0.00  -0.04  -0.02     0.00  -0.02  -0.01
     4  45     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     5   7    -0.00  -0.01   0.01    -0.01  -0.03   0.02    -0.01  -0.02   0.01
     6   7    -0.03  -0.01  -0.02    -0.00  -0.00  -0.00     0.02  -0.00   0.01
     7   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.01
     8   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.01
     9   7    -0.03  -0.01   0.02    -0.01  -0.00   0.00     0.02   0.02  -0.01
    10   7    -0.02   0.01  -0.01     0.02  -0.01   0.01    -0.02   0.01  -0.01
    11   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.01
    12   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.01
    13   7    -0.01   0.02   0.01     0.02  -0.02  -0.01    -0.01   0.02   0.01
    14   1    -0.13  -0.18  -0.24    -0.03  -0.04  -0.05     0.10   0.15   0.17
    15   1     0.02   0.02   0.02    -0.00   0.00   0.00    -0.02  -0.01  -0.02
    16   1    -0.22   0.07   0.24    -0.04   0.01   0.05     0.17  -0.06  -0.17
    17   1     0.02   0.00  -0.01     0.01   0.00  -0.00    -0.02   0.00   0.02
    18   1    -0.16   0.01   0.17     0.17  -0.02  -0.18    -0.18   0.01   0.17
    19   1     0.01  -0.00  -0.01    -0.02   0.01   0.01     0.02  -0.01  -0.02
    20   1    -0.04   0.15  -0.16     0.04  -0.17   0.18    -0.04   0.18  -0.17
    21   1     0.01  -0.02   0.01    -0.01   0.01  -0.01     0.01  -0.02   0.02
    22   1     0.03  -0.07   0.07     0.09  -0.20   0.24     0.08  -0.16   0.17
    23   1     0.00   0.01  -0.00    -0.00   0.02  -0.01    -0.00   0.02  -0.02
    24   1    -0.06  -0.05  -0.08    -0.16  -0.15  -0.23    -0.13  -0.12  -0.17
    25   1     0.00   0.00   0.00     0.01   0.02   0.01     0.01   0.02   0.02
    26   1     0.02   0.08  -0.03     0.04   0.20  -0.10     0.03   0.15  -0.06
    27   1     0.03   0.15  -0.02     0.08   0.35  -0.04     0.07   0.26  -0.03
    28   1     0.01   0.06   0.03     0.04   0.21   0.11     0.03   0.15   0.06
    29   1     0.01   0.10   0.01     0.07   0.38   0.04     0.03   0.27   0.03
    30   1     0.10  -0.09  -0.07    -0.13   0.11   0.08     0.11  -0.10  -0.06
    31   1     0.17  -0.17  -0.03    -0.23   0.21   0.04     0.19  -0.19  -0.03
    32   1     0.12  -0.10   0.08    -0.12   0.10  -0.08     0.11  -0.10   0.06
    33   1     0.22  -0.18   0.03    -0.21   0.17  -0.03     0.22  -0.17   0.03
    34   1     0.20   0.07   0.11     0.03   0.01   0.02    -0.14  -0.05  -0.06
    35   1     0.37   0.12   0.04     0.05   0.01   0.00    -0.27  -0.07  -0.03
    36   1     0.20   0.07  -0.11     0.05   0.02  -0.02    -0.14  -0.05   0.06
    37   1     0.35   0.13  -0.04     0.10   0.03  -0.01    -0.25  -0.11   0.03
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1225.7487              1226.1536              1247.0729
 Red. masses --      1.2483                 1.2468                 1.2371
 Frc consts  --      1.1050                 1.1045                 1.1336
 IR Inten    --      0.0051                 0.0031                38.5500
 RamAct Fr= 1--      7.5751                 7.6058                 0.0015
  Dep-P Fr= 1--      0.7500                 0.7500                 0.3312
  Dep-U Fr= 1--      0.8571                 0.8571                 0.4976
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      1.0822                 1.0865                 0.0001
 AlphaG Fr= 1--      0.0000                -0.0000                -0.0000
 Gamma2 Fr= 1--     -7.0471                -7.0800                -0.0012
 Delta2 Fr= 1--     -0.4858                -0.4681                -0.0002
 Raman1 Fr= 1--      30.300                 30.423                  0.006
 ROA1   Fr= 1--    -692.068               -694.656                 -0.121
 CID1   Fr= 1--     -22.840                -22.833                -20.265
 Raman2 Fr= 1--      12.986                 13.039                  0.001
 ROA2   Fr= 1--    -165.245               -166.175                 -0.026
 CID2   Fr= 1--     -12.725                -12.745                -17.830
 Raman3 Fr= 1--      25.972                 26.077                  0.003
 ROA3   Fr= 1--    -692.068               -694.656                 -0.121
 CID3   Fr= 1--     -26.647                -26.638                -40.723
 RC180  Fr= 1--       0.714                  0.714                 -0.005
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02  -0.01    -0.00  -0.03   0.02    -0.00  -0.03   0.01
     2   6    -0.01  -0.02  -0.01     0.00   0.04   0.02     0.01   0.03   0.01
     3   7     0.01   0.03   0.02    -0.00  -0.05  -0.03    -0.01  -0.04  -0.02
     4  45     0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     5   7    -0.01  -0.03   0.02     0.01   0.05  -0.03     0.01   0.04  -0.02
     6   7    -0.05  -0.01  -0.04    -0.00   0.00   0.00    -0.04  -0.01  -0.02
     7   6     0.04   0.01   0.02     0.00  -0.01   0.00     0.03   0.01   0.01
     8   6    -0.04  -0.01   0.02    -0.00   0.01   0.00    -0.03  -0.01   0.01
     9   7     0.05   0.02  -0.04     0.00  -0.00  -0.00     0.04   0.01  -0.02
    10   7     0.02  -0.01   0.02     0.04  -0.03   0.03    -0.03   0.03  -0.02
    11   6    -0.02   0.01  -0.01    -0.02   0.03  -0.02     0.02  -0.02   0.01
    12   6     0.02  -0.01  -0.01     0.03  -0.03  -0.02    -0.02   0.02   0.01
    13   7    -0.02   0.02   0.02    -0.03   0.04   0.03     0.03  -0.03  -0.02
    14   1     0.02   0.04   0.16    -0.02  -0.03  -0.02     0.00   0.02   0.09
    15   1     0.00  -0.02  -0.01     0.01   0.01  -0.00     0.03   0.01   0.02
    16   1    -0.04   0.02   0.16    -0.03   0.01   0.02    -0.01   0.01   0.09
    17   1     0.01  -0.02  -0.01     0.01  -0.00   0.00    -0.03  -0.01   0.02
    18   1     0.05   0.00  -0.09     0.02   0.00  -0.13    -0.02  -0.01   0.09
    19   1    -0.02  -0.00   0.00    -0.01  -0.01   0.01    -0.03   0.02   0.02
    20   1     0.00  -0.01  -0.07    -0.01   0.06  -0.15    -0.00  -0.02   0.09
    21   1    -0.01  -0.00   0.01    -0.01  -0.02   0.01     0.02  -0.02   0.02
    22   1     0.00  -0.01  -0.07     0.03  -0.05   0.15     0.01  -0.01   0.09
    23   1     0.01   0.00   0.01    -0.02   0.01  -0.00    -0.00  -0.03   0.02
    24   1    -0.04  -0.03  -0.10     0.02   0.01   0.13     0.02   0.01   0.09
    25   1     0.01   0.01   0.00    -0.01   0.00  -0.01     0.01   0.03   0.02
    26   1     0.01   0.10  -0.07    -0.03  -0.18   0.14    -0.02  -0.12   0.07
    27   1     0.09   0.26  -0.02    -0.10  -0.38   0.03    -0.09  -0.35   0.04
    28   1    -0.03  -0.11  -0.08     0.04   0.17   0.13     0.02   0.11   0.07
    29   1    -0.04  -0.22  -0.02     0.04   0.42   0.03     0.05   0.36   0.04
    30   1     0.09  -0.07  -0.08     0.14  -0.11  -0.13    -0.09   0.08   0.07
    31   1     0.15  -0.14  -0.02     0.29  -0.32  -0.03    -0.26   0.25   0.04
    32   1    -0.07   0.07  -0.07    -0.13   0.13  -0.14     0.09  -0.08   0.07
    33   1    -0.22   0.14  -0.02    -0.32   0.24  -0.03     0.28  -0.22   0.04
    34   1     0.19   0.08   0.15    -0.01  -0.00  -0.01     0.12   0.04   0.08
    35   1     0.46   0.11   0.04     0.04  -0.01   0.00     0.35   0.10   0.04
    36   1    -0.20  -0.06   0.15    -0.01  -0.01   0.01    -0.11  -0.04   0.08
    37   1    -0.43  -0.19   0.04     0.01   0.02  -0.00    -0.34  -0.14   0.04
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1291.1171              1291.1475              1296.0330
 Red. masses --      1.4120                 1.4127                 1.3762
 Frc consts  --      1.3868                 1.3875                 1.3620
 IR Inten    --      0.5905                 0.6152                 0.0035
 RamAct Fr= 1--      2.1574                 2.1643                 5.8753
  Dep-P Fr= 1--      0.7423                 0.7453                 0.0146
  Dep-U Fr= 1--      0.8521                 0.8541                 0.0287
 Alpha2 Fr= 1--      0.0003                 0.0002                 0.1262
 Beta2  Fr= 1--      0.3064                 0.3081                 0.0281
 AlphaG Fr= 1--      0.0001                 0.0001                 0.0094
 Gamma2 Fr= 1--      0.9716                 0.9636                 1.0695
 Delta2 Fr= 1--      0.2509                 0.2464                 0.7346
 Raman1 Fr= 1--       8.630                  8.657                 23.501
 ROA1   Fr= 1--     101.299                100.389                126.180
 CID1   Fr= 1--      11.738                 11.596                  5.369
 Raman2 Fr= 1--       3.677                  3.697                  0.338
 ROA2   Fr= 1--      21.310                 21.155                 19.792
 CID2   Fr= 1--       5.796                  5.722                 58.622
 Raman3 Fr= 1--       7.353                  7.394                  0.675
 ROA3   Fr= 1--     101.299                100.389                126.180
 CID3   Fr= 1--      13.776                 13.577                186.866
 RC180  Fr= 1--       0.704                  0.708                 -0.943
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06  -0.02  -0.03    -0.07   0.02   0.03    -0.06   0.02   0.03
     2   6    -0.06   0.01   0.03     0.07  -0.01  -0.03     0.06  -0.01  -0.03
     3   7     0.02   0.01  -0.02    -0.02  -0.01   0.01    -0.02  -0.01   0.01
     4  45     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     5   7    -0.01   0.02   0.01     0.02  -0.02  -0.02     0.02  -0.01  -0.02
     6   7     0.00  -0.01   0.01    -0.01  -0.03   0.02     0.00   0.02  -0.01
     7   6    -0.01   0.03  -0.02    -0.02   0.09  -0.04     0.02  -0.06   0.03
     8   6     0.02  -0.03   0.01     0.03  -0.08   0.04    -0.02   0.05  -0.03
     9   7    -0.01   0.01  -0.00    -0.03   0.02  -0.02     0.01  -0.01   0.01
    10   7     0.00   0.03   0.02     0.00   0.00   0.01     0.00   0.02   0.02
    11   6    -0.05  -0.07  -0.04    -0.01  -0.01  -0.01    -0.04  -0.05  -0.03
    12   6     0.06   0.06   0.04     0.01   0.01   0.00     0.05   0.05   0.03
    13   7    -0.03  -0.01  -0.02    -0.01   0.00   0.00    -0.02  -0.01  -0.02
    14   1     0.01   0.03  -0.05     0.04   0.08  -0.07    -0.01  -0.02   0.06
    15   1    -0.01   0.02   0.12    -0.06   0.02   0.29     0.03  -0.03  -0.22
    16   1     0.03  -0.01   0.01     0.09  -0.04   0.08    -0.03   0.01  -0.06
    17   1    -0.03  -0.02  -0.11    -0.02  -0.05  -0.29     0.01   0.04   0.22
    18   1     0.09   0.01   0.08     0.01  -0.00  -0.01     0.04   0.00   0.07
    19   1    -0.00   0.06  -0.29    -0.02   0.02  -0.04     0.01   0.05  -0.25
    20   1     0.01  -0.09  -0.07    -0.00  -0.02  -0.03     0.00  -0.04  -0.07
    21   1    -0.06   0.00   0.28    -0.00  -0.01   0.04    -0.05  -0.01   0.25
    22   1     0.03  -0.06  -0.04    -0.04   0.06   0.07    -0.02   0.03   0.07
    23   1     0.03   0.04   0.20    -0.04  -0.02  -0.23    -0.04  -0.02  -0.23
    24   1    -0.06  -0.04   0.07     0.06   0.04  -0.05     0.03   0.02  -0.06
    25   1    -0.03   0.03  -0.20     0.02  -0.05   0.22     0.03  -0.03   0.23
    26   1    -0.10  -0.25  -0.02     0.11   0.26   0.04     0.10   0.24   0.02
    27   1     0.10   0.11   0.01    -0.13  -0.14  -0.01    -0.11  -0.14  -0.01
    28   1     0.01  -0.25   0.03    -0.00   0.29  -0.03     0.00   0.26  -0.02
    29   1    -0.06   0.17  -0.01     0.06  -0.15   0.01     0.05  -0.17   0.01
    30   1     0.22  -0.29   0.04     0.04  -0.05  -0.00     0.17  -0.22   0.02
    31   1    -0.07   0.23  -0.01    -0.00   0.01  -0.00    -0.07   0.18  -0.01
    32   1     0.32  -0.18  -0.04     0.04  -0.02  -0.01     0.24  -0.14  -0.02
    33   1    -0.22   0.04   0.01    -0.06   0.01   0.00    -0.19   0.04   0.01
    34   1     0.14   0.01  -0.02     0.37   0.05  -0.04    -0.24  -0.03   0.02
    35   1    -0.11   0.03   0.01    -0.23   0.05   0.01     0.17  -0.02  -0.01
    36   1     0.13   0.08   0.01     0.31   0.19   0.04    -0.20  -0.12  -0.02
    37   1    -0.04  -0.05  -0.00    -0.15  -0.19  -0.01     0.12   0.12   0.01
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1331.8475              1332.0743              1341.4251
 Red. masses --      1.1854                 1.1859                 1.1699
 Frc consts  --      1.2389                 1.2398                 1.2403
 IR Inten    --     25.1226                25.3078                 0.0075
 RamAct Fr= 1--      4.8154                 4.7214                 2.1604
  Dep-P Fr= 1--      0.7500                 0.7500                 0.1855
  Dep-U Fr= 1--      0.8571                 0.8571                 0.3129
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0305
 Beta2  Fr= 1--      0.6879                 0.6745                 0.1127
 AlphaG Fr= 1--      0.0000                -0.0000                 0.0701
 Gamma2 Fr= 1--     -7.4146                -7.3681                 2.5913
 Delta2 Fr= 1--     -7.2179                -7.1551                 1.4381
 Raman1 Fr= 1--      19.262                 18.885                  8.642
 ROA1   Fr= 1--    -942.770               -936.300                294.786
 CID1   Fr= 1--     -48.946                -49.578                 34.112
 Raman2 Fr= 1--       8.255                  8.094                  1.352
 ROA2   Fr= 1--    -120.206               -119.593                 50.687
 CID2   Fr= 1--     -14.562                -14.776                 37.485
 Raman3 Fr= 1--      16.510                 16.188                  2.704
 ROA3   Fr= 1--    -942.770               -936.300                294.786
 CID3   Fr= 1--     -57.104                -57.841                109.004
 RC180  Fr= 1--       0.714                  0.714                 -0.374
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.00  -0.01    -0.00   0.01  -0.04    -0.01   0.01  -0.03
     2   6    -0.00   0.00   0.01     0.01   0.01   0.04     0.01   0.01   0.03
     3   7    -0.00  -0.01  -0.01    -0.04  -0.03  -0.02    -0.02  -0.03  -0.01
     4  45     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     5   7     0.01  -0.01   0.00     0.02  -0.05   0.02     0.01  -0.03   0.01
     6   7    -0.03  -0.04  -0.02    -0.01  -0.01  -0.01     0.02   0.03   0.01
     7   6     0.00   0.01   0.04     0.01  -0.00   0.01    -0.00  -0.01  -0.03
     8   6     0.01  -0.00  -0.04     0.00  -0.01  -0.01    -0.01   0.01   0.03
     9   7    -0.04   0.01   0.02    -0.02   0.01   0.00     0.03  -0.01  -0.01
    10   7    -0.01   0.04  -0.01     0.01  -0.03   0.01    -0.01   0.03  -0.01
    11   6    -0.00  -0.01   0.03    -0.01   0.01  -0.03    -0.00  -0.01   0.03
    12   6     0.01  -0.00  -0.03    -0.01  -0.00   0.03     0.01   0.00  -0.03
    13   7    -0.03   0.01   0.01     0.04  -0.00  -0.01    -0.04   0.01   0.01
    14   1     0.16   0.23   0.20     0.07   0.09   0.10    -0.12  -0.16  -0.15
    15   1    -0.10  -0.14  -0.23    -0.06  -0.07  -0.08     0.10   0.11   0.16
    16   1     0.29  -0.09  -0.24     0.06  -0.02  -0.03    -0.19   0.05   0.15
    17   1    -0.19   0.05   0.24    -0.02   0.01   0.06     0.15  -0.03  -0.16
    18   1     0.25  -0.03  -0.20    -0.18   0.01   0.12     0.20  -0.02  -0.15
    19   1    -0.17   0.03   0.19     0.10  -0.01  -0.16    -0.15   0.03   0.16
    20   1     0.04  -0.20   0.14    -0.05   0.22  -0.19     0.05  -0.20   0.15
    21   1    -0.02   0.11  -0.17     0.05  -0.15   0.18    -0.05   0.15  -0.16
    22   1    -0.02   0.03  -0.01    -0.13   0.28  -0.24    -0.08   0.18  -0.15
    23   1     0.01  -0.00   0.04     0.08  -0.18   0.25     0.05  -0.15   0.16
    24   1     0.06   0.07   0.09     0.22   0.20   0.22     0.14   0.13   0.15
    25   1    -0.05  -0.06  -0.07    -0.13  -0.13  -0.24    -0.10  -0.11  -0.16
    26   1     0.03   0.06  -0.01     0.08   0.19  -0.07     0.07   0.18  -0.04
    27   1    -0.02   0.02  -0.01    -0.00   0.16  -0.02     0.01   0.11  -0.02
    28   1     0.00   0.02   0.02     0.00   0.21   0.06     0.00   0.20   0.04
    29   1    -0.00   0.05   0.00     0.07   0.14   0.02     0.04   0.10   0.02
    30   1     0.09  -0.11  -0.05    -0.10   0.13   0.04     0.13  -0.16  -0.04
    31   1     0.10  -0.07  -0.01    -0.09   0.03   0.02     0.10  -0.06  -0.02
    32   1     0.15  -0.09   0.05    -0.10   0.06  -0.05     0.17  -0.10   0.04
    33   1     0.05  -0.10   0.02    -0.08   0.08  -0.01     0.07  -0.09   0.02
    34   1     0.21   0.03   0.06     0.04   0.01   0.03    -0.20  -0.03  -0.04
    35   1     0.12   0.09   0.02     0.06   0.01   0.00    -0.10  -0.05  -0.02
    36   1     0.17   0.09  -0.07     0.07   0.05  -0.01    -0.17  -0.09   0.04
    37   1     0.15   0.02  -0.02     0.04  -0.02  -0.01    -0.11  -0.02   0.02
                     61                     62                     63
                      A                      A                      A
 Frequencies --   1346.2580              1348.4601              1348.5031
 Red. masses --      1.1927                 1.1917                 1.1913
 Frc consts  --      1.2736                 1.2767                 1.2764
 IR Inten    --     11.9941                 4.1926                 4.3316
 RamAct Fr= 1--      0.0215                11.1275                11.0628
  Dep-P Fr= 1--      0.7357                 0.7500                 0.7500
  Dep-U Fr= 1--      0.8477                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0030                 1.5896                 1.5804
 AlphaG Fr= 1--      0.0000                 0.0000                 0.0000
 Gamma2 Fr= 1--      0.0141                12.9796                13.0132
 Delta2 Fr= 1--     -0.0014                 2.9325                 2.9914
 Raman1 Fr= 1--       0.086                 44.510                 44.251
 ROA1   Fr= 1--       1.303               1339.878               1344.988
 CID1   Fr= 1--      15.117                 30.103                 30.394
 Raman2 Fr= 1--       0.037                 19.075                 18.965
 ROA2   Fr= 1--       0.349                288.050                288.384
 CID2   Fr= 1--       9.545                 15.101                 15.206
 Raman3 Fr= 1--       0.073                 38.150                 37.929
 ROA3   Fr= 1--       1.303               1339.878               1344.988
 CID3   Fr= 1--      17.833                 35.121                 35.461
 RC180  Fr= 1--       0.695                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.01  -0.01    -0.04  -0.00  -0.01     0.04   0.01   0.00
     2   6    -0.03   0.02  -0.01    -0.03   0.02  -0.00     0.03  -0.02   0.01
     3   7     0.03   0.01  -0.00     0.02   0.01  -0.00    -0.03  -0.02   0.00
     4  45     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   7     0.02  -0.03  -0.00     0.02  -0.03  -0.00    -0.02   0.02   0.00
     6   7     0.01   0.03  -0.00    -0.02  -0.04   0.00    -0.01  -0.01  -0.00
     7   6     0.03  -0.03  -0.01    -0.03   0.04   0.01    -0.00   0.01   0.01
     8   6    -0.00  -0.04  -0.01     0.00   0.05   0.01     0.00   0.01  -0.00
     9   7    -0.03   0.02  -0.00     0.04  -0.02   0.00    -0.00  -0.00   0.00
    10   7    -0.00  -0.03  -0.00     0.00  -0.02   0.00    -0.00  -0.04  -0.00
    11   6     0.03   0.02  -0.01     0.02   0.01  -0.01     0.05   0.02  -0.01
    12   6     0.01   0.03  -0.01     0.00   0.02   0.00     0.02   0.05  -0.01
    13   7    -0.03  -0.01  -0.00    -0.01  -0.00  -0.00    -0.05  -0.01  -0.00
    14   1     0.13   0.16   0.22    -0.18  -0.23  -0.28    -0.01  -0.02  -0.02
    15   1    -0.12  -0.11  -0.05     0.14   0.14   0.08     0.00   0.00  -0.01
    16   1    -0.20   0.05   0.22     0.26  -0.07  -0.27     0.08  -0.02  -0.08
    17   1     0.15  -0.01  -0.05    -0.18   0.02   0.07    -0.06   0.01   0.04
    18   1    -0.19   0.03   0.20    -0.12   0.02   0.12    -0.27   0.03   0.27
    19   1     0.14  -0.04  -0.05     0.09  -0.03  -0.04     0.18  -0.05  -0.07
    20   1     0.05  -0.18   0.21     0.02  -0.07   0.07     0.08  -0.28   0.28
    21   1    -0.06   0.13  -0.05    -0.01   0.04  -0.01    -0.08   0.19  -0.08
    22   1     0.07  -0.19   0.22     0.07  -0.16   0.17    -0.09   0.21  -0.23
    23   1    -0.03   0.15  -0.05    -0.03   0.11  -0.03     0.04  -0.16   0.07
    24   1     0.14   0.15   0.22     0.15   0.15   0.21    -0.14  -0.13  -0.19
    25   1    -0.09  -0.13  -0.05    -0.09  -0.12  -0.07     0.08   0.10   0.04
    26   1     0.09   0.20  -0.01     0.10   0.22  -0.01    -0.09  -0.19   0.01
    27   1    -0.08  -0.03  -0.01    -0.05   0.00  -0.01     0.06   0.02   0.01
    28   1     0.01  -0.22  -0.01     0.01  -0.18  -0.00    -0.00   0.26   0.01
    29   1    -0.06   0.06  -0.01    -0.05   0.04  -0.01     0.05  -0.02   0.01
    30   1     0.11  -0.16  -0.01     0.04  -0.06   0.00     0.19  -0.26  -0.01
    31   1     0.02   0.08  -0.01     0.00   0.04  -0.01     0.03   0.07  -0.02
    32   1    -0.18   0.09  -0.01    -0.13   0.07  -0.01    -0.27   0.15  -0.01
    33   1     0.08   0.02  -0.01     0.01   0.02  -0.01     0.07   0.04  -0.02
    34   1    -0.21  -0.02  -0.01     0.30   0.03   0.01     0.09   0.01   0.01
    35   1     0.06  -0.05  -0.01    -0.05   0.06   0.02     0.01   0.01   0.00
    36   1     0.19   0.12  -0.01    -0.28  -0.17   0.01    -0.01  -0.01  -0.00
    37   1    -0.02  -0.08  -0.01    -0.00   0.08   0.02     0.01   0.02   0.00
                     64                     65                     66
                      A                      A                      A
 Frequencies --   1404.5241              1405.5276              1405.7048
 Red. masses --      1.2649                 1.2670                 1.2666
 Frc consts  --      1.4702                 1.4747                 1.4746
 IR Inten    --      0.0749                 1.3551                 1.3702
 RamAct Fr= 1--      0.0122                 2.3233                 2.3192
  Dep-P Fr= 1--      0.7499                 0.7500                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0017                 0.3319                 0.3313
 AlphaG Fr= 1--      0.0000                -0.0000                 0.0000
 Gamma2 Fr= 1--     -0.0134                -2.8310                -2.8634
 Delta2 Fr= 1--     -0.0053                -1.1867                -1.1945
 Raman1 Fr= 1--       0.049                  9.293                  9.277
 ROA1   Fr= 1--      -1.451               -309.746               -313.108
 CID1   Fr= 1--     -29.837                -33.330                -33.751
 Raman2 Fr= 1--       0.021                  3.983                  3.976
 ROA2   Fr= 1--      -0.278                -58.449                -59.166
 CID2   Fr= 1--     -13.353                -14.675                -14.881
 Raman3 Fr= 1--       0.042                  7.966                  7.952
 ROA3   Fr= 1--      -1.451               -309.746               -313.108
 CID3   Fr= 1--     -34.813                -38.885                -39.377
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.03   0.04    -0.00  -0.01  -0.02     0.01   0.05   0.07
     2   6    -0.00  -0.03   0.04     0.00   0.01  -0.02    -0.01  -0.05   0.07
     3   7     0.01  -0.01  -0.01    -0.00   0.00   0.00     0.01  -0.01  -0.02
     4  45    -0.00   0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     5   7     0.01   0.00  -0.01    -0.01  -0.00   0.01     0.02   0.00  -0.02
     6   7    -0.01   0.01  -0.02    -0.01   0.01  -0.02     0.00  -0.00   0.00
     7   6    -0.04  -0.01   0.05    -0.04  -0.01   0.06     0.01   0.00  -0.02
     8   6     0.04   0.01   0.05     0.04   0.02   0.06    -0.01  -0.01  -0.02
     9   7     0.00   0.02  -0.02     0.00   0.02  -0.02    -0.00  -0.01   0.01
    10   7    -0.01  -0.00  -0.01     0.01   0.01   0.02     0.01   0.01   0.01
    11   6    -0.03   0.02   0.04     0.03  -0.02  -0.05     0.02  -0.02  -0.04
    12   6     0.02  -0.02   0.04    -0.03   0.03  -0.05    -0.02   0.02  -0.05
    13   7    -0.00  -0.01  -0.01     0.00   0.01   0.02     0.00   0.01   0.01
    14   1    -0.09  -0.12  -0.20    -0.10  -0.12  -0.25     0.03   0.04   0.07
    15   1    -0.16  -0.20  -0.21    -0.17  -0.23  -0.25     0.07   0.08   0.08
    16   1     0.14  -0.04  -0.20     0.16  -0.04  -0.24    -0.04   0.00   0.08
    17   1     0.25  -0.06  -0.21     0.28  -0.08  -0.26    -0.06   0.02   0.07
    18   1     0.13  -0.01  -0.17    -0.14   0.02   0.20    -0.11   0.02   0.18
    19   1     0.22  -0.04  -0.18    -0.26   0.04   0.22    -0.20   0.02   0.18
    20   1    -0.03   0.13  -0.17     0.04  -0.13   0.21     0.03  -0.12   0.17
    21   1    -0.07   0.21  -0.18     0.06  -0.23   0.21     0.06  -0.22   0.19
    22   1    -0.06   0.12  -0.17     0.01  -0.04   0.08    -0.07   0.16  -0.26
    23   1    -0.08   0.21  -0.18     0.03  -0.06   0.07    -0.12   0.30  -0.28
    24   1    -0.09  -0.09  -0.17     0.04   0.03   0.07    -0.12  -0.12  -0.27
    25   1    -0.15  -0.16  -0.18     0.07   0.08   0.08    -0.22  -0.22  -0.28
    26   1     0.04   0.08   0.02    -0.02  -0.05  -0.01     0.07   0.13   0.03
    27   1    -0.06  -0.08  -0.01     0.02   0.03   0.00    -0.07  -0.11  -0.01
    28   1     0.01  -0.09   0.02    -0.00   0.02  -0.01     0.01  -0.15   0.03
    29   1    -0.02   0.10  -0.01     0.01  -0.04   0.00    -0.02   0.13  -0.01
    30   1     0.05  -0.08   0.02    -0.06   0.09  -0.02    -0.06   0.09  -0.02
    31   1    -0.04   0.09  -0.01     0.05  -0.09   0.01     0.05  -0.08   0.01
    32   1    -0.09   0.04   0.02     0.12  -0.06  -0.02     0.08  -0.04  -0.02
    33   1     0.10  -0.03  -0.01    -0.10   0.04   0.01    -0.09   0.03   0.01
    34   1    -0.11  -0.00   0.02    -0.14  -0.01   0.03     0.03   0.00  -0.01
    35   1     0.12  -0.01  -0.01     0.12  -0.00  -0.01    -0.04   0.01   0.00
    36   1     0.09   0.06   0.02     0.11   0.08   0.03    -0.05  -0.03  -0.01
    37   1    -0.09  -0.08  -0.01    -0.09  -0.08  -0.01     0.03   0.02   0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   1443.1425              1443.4477              1446.5816
 Red. masses --      1.4440                 1.4419                 1.4480
 Frc consts  --      1.7718                 1.7700                 1.7853
 IR Inten    --      3.8558                 3.8701                 0.0073
 RamAct Fr= 1--      0.3500                 0.3477                 0.9009
  Dep-P Fr= 1--      0.7495                 0.7498                 0.5475
  Dep-U Fr= 1--      0.8568                 0.8570                 0.7076
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0035
 Beta2  Fr= 1--      0.0500                 0.0497                 0.1062
 AlphaG Fr= 1--     -0.0001                -0.0000                -0.0694
 Gamma2 Fr= 1--      0.5608                 0.5665                 0.1720
 Delta2 Fr= 1--      0.4724                 0.4750                 0.3308
 Raman1 Fr= 1--       1.400                  1.391                  3.604
 ROA1   Fr= 1--      68.955                 69.584                 27.096
 CID1   Fr= 1--      49.258                 50.039                  7.519
 Raman2 Fr= 1--       0.600                  0.596                  1.275
 ROA2   Fr= 1--       9.681                  9.796                  1.481
 CID2   Fr= 1--      16.143                 16.440                  1.162
 Raman3 Fr= 1--       1.199                  1.192                  2.550
 ROA3   Fr= 1--      68.955                 69.584                 27.096
 CID3   Fr= 1--      57.490                 58.388                 10.626
 RC180  Fr= 1--       0.714                  0.714                  0.415
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01   0.03     0.03   0.02   0.09     0.03   0.01   0.08
     2   6    -0.01   0.01  -0.03    -0.02   0.03  -0.10    -0.02   0.02  -0.07
     3   7    -0.00   0.00   0.01    -0.01   0.01   0.03    -0.01   0.01   0.02
     4  45    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     5   7     0.01   0.00  -0.01     0.01   0.01  -0.03     0.01   0.01  -0.02
     6   7     0.01  -0.01   0.03     0.00  -0.00   0.01    -0.01   0.00  -0.02
     7   6     0.03  -0.02  -0.10     0.00  -0.00  -0.02    -0.02   0.01   0.07
     8   6     0.01   0.04   0.10     0.00   0.01   0.02    -0.01  -0.02  -0.07
     9   7     0.01   0.01  -0.03     0.00   0.00  -0.00    -0.01  -0.01   0.02
    10   7     0.01   0.00   0.02    -0.01  -0.00  -0.02     0.01   0.00   0.02
    11   6     0.02   0.00  -0.06    -0.03  -0.00   0.08     0.03   0.00  -0.07
    12   6    -0.00  -0.02   0.06    -0.00   0.03  -0.08     0.00  -0.03   0.07
    13   7     0.00  -0.01  -0.02     0.00   0.01   0.02     0.00  -0.01  -0.02
    14   1    -0.11  -0.07  -0.19    -0.03  -0.03  -0.04     0.08   0.07   0.12
    15   1    -0.14  -0.27  -0.36    -0.04  -0.06  -0.07     0.10   0.18   0.23
    16   1    -0.14  -0.01   0.19    -0.02  -0.01   0.03     0.10  -0.01  -0.12
    17   1    -0.28   0.13   0.37    -0.04   0.03   0.07     0.19  -0.08  -0.23
    18   1    -0.08   0.04   0.12     0.09  -0.05  -0.14    -0.10   0.04   0.13
    19   1    -0.20  -0.00   0.23     0.23   0.02  -0.28    -0.22  -0.00   0.25
    20   1    -0.05   0.06  -0.11     0.06  -0.10   0.14    -0.05   0.10  -0.13
    21   1    -0.01   0.18  -0.22     0.03  -0.25   0.28    -0.03   0.22  -0.25
    22   1    -0.01  -0.03   0.06     0.01  -0.13   0.17     0.02  -0.11   0.13
    23   1     0.05  -0.06   0.11     0.15  -0.25   0.34     0.11  -0.20   0.25
    24   1    -0.03  -0.04  -0.06    -0.05  -0.11  -0.17    -0.06  -0.10  -0.13
    25   1    -0.08  -0.07  -0.12    -0.23  -0.16  -0.34    -0.18  -0.14  -0.26
    26   1     0.02   0.03   0.01     0.05   0.08   0.06     0.04   0.05   0.05
    27   1    -0.03  -0.05  -0.00    -0.05  -0.14  -0.01    -0.04  -0.14  -0.00
    28   1    -0.01   0.03  -0.03    -0.02   0.10  -0.06    -0.02   0.06  -0.05
    29   1    -0.01  -0.04   0.00     0.00  -0.15   0.01    -0.01  -0.14  -0.00
    30   1     0.03  -0.06   0.05    -0.04   0.07  -0.04     0.03  -0.06   0.05
    31   1    -0.07   0.07  -0.00     0.08  -0.10   0.00    -0.09   0.10   0.00
    32   1     0.06  -0.02  -0.03    -0.07   0.02   0.06     0.06  -0.02  -0.05
    33   1    -0.09   0.05   0.00     0.10  -0.07  -0.00    -0.11   0.08  -0.00
    34   1     0.10  -0.01  -0.06     0.02  -0.00  -0.02    -0.06   0.01   0.05
    35   1    -0.16  -0.02   0.01    -0.03  -0.02   0.00     0.13   0.03   0.00
    36   1     0.08   0.07   0.07     0.02   0.01   0.00    -0.04  -0.04  -0.05
    37   1    -0.15  -0.08  -0.01    -0.03  -0.03  -0.00     0.12   0.05  -0.00
                     70                     71                     72
                      A                      A                      A
 Frequencies --   1502.6718              1502.9195              1503.0272
 Red. masses --      1.0825                 1.0796                 1.0836
 Frc consts  --      1.4402                 1.4367                 1.4422
 IR Inten    --     44.5735                18.2203                 8.9762
 RamAct Fr= 1--      2.1335                 2.6909                 7.7324
  Dep-P Fr= 1--      0.3256                 0.7469                 0.1526
  Dep-U Fr= 1--      0.4912                 0.8551                 0.2648
 Alpha2 Fr= 1--      0.0202                 0.0001                 0.1187
 Beta2  Fr= 1--      0.1747                 0.3835                 0.3412
 AlphaG Fr= 1--      0.0594                 0.0005                 0.3477
 Gamma2 Fr= 1--     -0.0079                 1.1707                 0.4240
 Delta2 Fr= 1--      0.1213                 0.8671                 0.3907
 Raman1 Fr= 1--       8.534                 10.764                 30.930
 ROA1   Fr= 1--       3.121                140.139                 53.203
 CID1   Fr= 1--       0.366                 13.020                  1.720
 Raman2 Fr= 1--       2.096                  4.602                  4.095
 ROA2   Fr= 1--      -1.160                 21.161                  7.050
 CID2   Fr= 1--      -0.553                  4.598                  1.722
 Raman3 Fr= 1--       4.192                  9.204                  8.190
 ROA3   Fr= 1--       3.121                140.139                 53.203
 CID3   Fr= 1--       0.745                 15.225                  6.496
 RC180  Fr= 1--      -0.018                  0.710                 -0.470
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.01     0.00   0.00   0.00    -0.00  -0.01   0.00
     2   6     0.01  -0.01  -0.01    -0.01   0.02   0.02     0.01  -0.04  -0.04
     3   7    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.01  -0.00
     4  45    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     5   7    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     6   7    -0.01  -0.00  -0.00    -0.01   0.00  -0.00     0.00  -0.00   0.00
     7   6    -0.05   0.01  -0.04    -0.03   0.00  -0.03     0.01  -0.00   0.01
     8   6    -0.00   0.00  -0.01    -0.01  -0.01   0.00     0.01   0.01  -0.01
     9   7     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    10   7    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.01   0.00  -0.00
    11   6    -0.01   0.00  -0.01    -0.02   0.01  -0.00    -0.04   0.01  -0.03
    12   6     0.01  -0.03  -0.03    -0.02   0.04   0.04    -0.01   0.02   0.01
    13   7     0.00  -0.00  -0.00    -0.00   0.01   0.00     0.00   0.01   0.00
    14   1    -0.01  -0.05   0.03    -0.00   0.05  -0.03     0.00  -0.13   0.09
    15   1    -0.03   0.03   0.06     0.07   0.02  -0.00    -0.14   0.00   0.06
    16   1     0.29  -0.37   0.29     0.21  -0.26   0.20    -0.07   0.09  -0.07
    17   1     0.39   0.30   0.22     0.30   0.21   0.14    -0.10  -0.07  -0.04
    18   1     0.12   0.06   0.08     0.09   0.06   0.07     0.31   0.18   0.22
    19   1     0.05  -0.12   0.08     0.10  -0.11   0.02     0.21  -0.33   0.15
    20   1     0.11   0.29   0.19    -0.16  -0.40  -0.27    -0.08  -0.18  -0.12
    21   1    -0.30   0.12   0.15     0.42  -0.19  -0.19     0.20  -0.11  -0.06
    22   1    -0.13   0.08   0.10     0.19  -0.11  -0.13    -0.34   0.20   0.25
    23   1     0.08   0.13   0.08    -0.11  -0.21  -0.10     0.21   0.37   0.18
    24   1    -0.07  -0.01   0.05     0.01   0.00  -0.00     0.04   0.00  -0.03
    25   1     0.03  -0.06   0.06    -0.01   0.01  -0.01     0.02   0.06   0.01
    26   1    -0.01  -0.03   0.02    -0.00  -0.01  -0.00     0.00   0.00   0.02
    27   1     0.03   0.00   0.00    -0.01  -0.00  -0.00     0.03   0.01   0.00
    28   1     0.00   0.01   0.00     0.00   0.00   0.01     0.00   0.02  -0.01
    29   1     0.01  -0.00   0.00     0.01  -0.01   0.00    -0.00   0.01  -0.00
    30   1    -0.01   0.01  -0.00     0.00  -0.00   0.02    -0.00   0.00   0.02
    31   1    -0.00  -0.00  -0.00    -0.01  -0.03   0.00    -0.01  -0.03   0.00
    32   1     0.01  -0.01   0.01    -0.01   0.00  -0.03     0.00  -0.00  -0.02
    33   1    -0.02  -0.01   0.00     0.04   0.02  -0.00     0.02   0.01  -0.00
    34   1     0.02   0.01  -0.01    -0.02  -0.00  -0.03    -0.01  -0.00   0.01
    35   1     0.01   0.00  -0.00     0.02  -0.02  -0.00    -0.01   0.00   0.00
    36   1    -0.01  -0.01   0.02     0.01   0.00   0.01    -0.02  -0.01   0.00
    37   1     0.00   0.04   0.00     0.00   0.02   0.00    -0.00   0.00   0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --   1503.3185              1503.5781              1503.9600
 Red. masses --      1.0792                 1.0792                 1.0798
 Frc consts  --      1.4370                 1.4375                 1.4391
 IR Inten    --      4.8342                21.8620                 6.1460
 RamAct Fr= 1--     14.0837                 3.6637                13.1136
  Dep-P Fr= 1--      0.7491                 0.7119                 0.6473
  Dep-U Fr= 1--      0.8566                 0.8317                 0.7859
 Alpha2 Fr= 1--      0.0002                 0.0024                 0.0242
 Beta2  Fr= 1--      2.0106                 0.5078                 1.7176
 AlphaG Fr= 1--      0.0005                 0.0074                 0.0706
 Gamma2 Fr= 1--     -6.0499                 1.3588                -4.1838
 Delta2 Fr= 1--     -1.4573                 1.0704                -0.7621
 Raman1 Fr= 1--      56.335                 14.655                 52.454
 ROA1   Fr= 1--    -627.426                164.695               -426.030
 CID1   Fr= 1--     -11.137                 11.238                 -8.122
 Raman2 Fr= 1--      24.128                  6.094                 20.611
 ROA2   Fr= 1--    -133.539                 24.048                -94.314
 CID2   Fr= 1--      -5.535                  3.946                 -4.576
 Raman3 Fr= 1--      48.255                 12.188                 41.222
 ROA3   Fr= 1--    -627.426                164.695               -426.030
 CID3   Fr= 1--     -13.002                 13.513                -10.335
 RC180  Fr= 1--       0.713                  0.663                  0.572
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01   0.00    -0.01  -0.02   0.02    -0.04  -0.04   0.05
     2   6     0.01  -0.04  -0.03     0.00  -0.01  -0.00    -0.00   0.00   0.01
     3   7     0.00  -0.01  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     4  45     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     5   7    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.01  -0.01   0.00
     6   7    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
     7   6    -0.01   0.00  -0.01    -0.00  -0.00   0.01    -0.00   0.00  -0.01
     8   6    -0.01  -0.01   0.00    -0.04  -0.04   0.04     0.01   0.01  -0.02
     9   7     0.00  -0.00   0.00    -0.01  -0.01   0.00     0.00   0.00  -0.00
    10   7     0.01  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    11   6     0.04  -0.01   0.04    -0.01   0.00  -0.01     0.00  -0.00  -0.00
    12   6    -0.00   0.01   0.02     0.00  -0.01  -0.01     0.00  -0.01  -0.00
    13   7    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    14   1    -0.00   0.07  -0.04     0.01   0.54  -0.33    -0.00  -0.21   0.13
    15   1     0.09   0.02  -0.02     0.58   0.01  -0.24    -0.22  -0.00   0.10
    16   1     0.08  -0.11   0.08    -0.02   0.01  -0.01     0.04  -0.04   0.03
    17   1     0.13   0.08   0.05     0.02  -0.03  -0.05     0.03   0.04   0.04
    18   1    -0.37  -0.21  -0.26     0.13   0.07   0.08    -0.01  -0.01  -0.01
    19   1    -0.22   0.39  -0.20     0.09  -0.13   0.06    -0.02   0.02   0.00
    20   1    -0.06  -0.17  -0.11     0.03   0.07   0.04     0.02   0.05   0.03
    21   1     0.17  -0.04  -0.11    -0.07   0.02   0.04    -0.06   0.04   0.01
    22   1    -0.30   0.18   0.21    -0.05   0.03   0.04     0.06  -0.04  -0.04
    23   1     0.17   0.34   0.14     0.02   0.07   0.01    -0.05  -0.03  -0.07
    24   1     0.06   0.00  -0.04     0.21   0.03  -0.13     0.55   0.08  -0.34
    25   1     0.02   0.08   0.00    -0.02   0.22  -0.09    -0.07   0.59  -0.25
    26   1    -0.00  -0.01   0.02     0.00   0.00   0.01    -0.00   0.00   0.02
    27   1     0.03   0.01   0.00     0.01   0.00   0.00     0.01   0.01   0.00
    28   1    -0.00  -0.02  -0.02     0.00   0.00  -0.01    -0.00  -0.01  -0.02
    29   1    -0.03   0.02  -0.00    -0.01   0.01  -0.00    -0.04   0.02  -0.00
    30   1     0.01  -0.01  -0.01     0.00  -0.00  -0.00     0.02  -0.02  -0.01
    31   1     0.01   0.03  -0.00     0.00  -0.00   0.00     0.01   0.02  -0.00
    32   1    -0.01   0.01   0.01    -0.02   0.01  -0.02     0.01  -0.01   0.01
    33   1     0.00   0.00   0.00     0.02   0.01  -0.00    -0.01  -0.01   0.00
    34   1    -0.01  -0.00  -0.01    -0.00  -0.00  -0.02     0.01   0.00   0.01
    35   1     0.01  -0.01  -0.00     0.03  -0.03  -0.00    -0.01   0.01   0.00
    36   1    -0.02  -0.01   0.02     0.00  -0.00   0.02     0.00   0.00  -0.01
    37   1    -0.00   0.03   0.00     0.01   0.02   0.00    -0.00  -0.00  -0.00
                     76                     77                     78
                      A                      A                      A
 Frequencies --   1643.7687              1657.2017              1657.7968
 Red. masses --      1.0765                 1.0784                 1.0781
 Frc consts  --      1.7137                 1.7450                 1.7457
 IR Inten    --     84.6136                39.8373                41.2688
 RamAct Fr= 1--      0.0141                 6.5157                 6.1375
  Dep-P Fr= 1--      0.7485                 0.7500                 0.7500
  Dep-U Fr= 1--      0.8562                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0020                 0.9308                 0.8768
 AlphaG Fr= 1--      0.0000                -0.0000                -0.0001
 Gamma2 Fr= 1--      0.0062                 3.7601                 3.1935
 Delta2 Fr= 1--      0.0090                 5.6996                 5.3146
 Raman1 Fr= 1--       0.056                 26.063                 24.550
 ROA1   Fr= 1--       0.884                543.359                476.644
 CID1   Fr= 1--      15.684                 20.848                 19.415
 Raman2 Fr= 1--       0.024                 11.170                 10.521
 ROA2   Fr= 1--       0.077                 44.647                 34.127
 CID2   Fr= 1--       3.203                  3.997                  3.244
 Raman3 Fr= 1--       0.048                 22.340                 21.043
 ROA3   Fr= 1--       0.884                543.359                476.644
 CID3   Fr= 1--      18.318                 24.323                 22.651
 RC180  Fr= 1--       0.712                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00  -0.00   0.01    -0.00   0.00  -0.01
     2   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.01    -0.00  -0.00   0.00
     3   7    -0.02   0.01  -0.02    -0.02   0.02  -0.02    -0.01   0.01  -0.01
     4  45    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     5   7    -0.02  -0.01  -0.02     0.01   0.00   0.01    -0.03  -0.01  -0.02
     6   7     0.02  -0.02  -0.02    -0.02   0.01   0.02    -0.02   0.02   0.02
     7   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.01
     8   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.01
     9   7    -0.00  -0.02  -0.02     0.00   0.02   0.02    -0.00  -0.03  -0.02
    10   7     0.02   0.01  -0.02    -0.01  -0.00   0.01    -0.03  -0.01   0.02
    11   6     0.00   0.00  -0.00     0.00  -0.00   0.01     0.00  -0.01   0.01
    12   6     0.00   0.00  -0.00     0.01  -0.00  -0.01    -0.00  -0.00  -0.00
    13   7     0.01   0.02  -0.02     0.01   0.03  -0.02    -0.00  -0.01   0.01
    14   1     0.01   0.02  -0.00    -0.01  -0.01   0.00     0.02  -0.02   0.03
    15   1     0.00  -0.01  -0.01     0.00   0.01   0.01    -0.04  -0.00   0.01
    16   1    -0.02   0.01  -0.00     0.01  -0.00   0.00     0.00   0.02  -0.03
    17   1     0.00  -0.01  -0.01    -0.00   0.01   0.01    -0.03  -0.02  -0.01
    18   1    -0.02  -0.00  -0.00    -0.01  -0.02  -0.03     0.01  -0.01  -0.01
    19   1     0.01   0.01  -0.01    -0.01   0.02  -0.01    -0.02   0.01   0.00
    20   1     0.00  -0.02   0.00     0.02   0.00   0.02     0.00   0.01   0.01
    21   1     0.01   0.01  -0.01    -0.02   0.02   0.00    -0.01   0.00   0.00
    22   1     0.01  -0.02  -0.00    -0.02  -0.01   0.02     0.01  -0.01  -0.01
    23   1    -0.01   0.00  -0.01     0.01   0.03   0.00    -0.01  -0.01  -0.01
    24   1     0.02   0.01  -0.00     0.02  -0.01  -0.03    -0.00   0.01   0.01
    25   1    -0.01   0.00  -0.01    -0.00   0.03  -0.01    -0.01  -0.02  -0.00
    26   1     0.06   0.08   0.27    -0.04  -0.05  -0.16     0.07   0.10   0.31
    27   1     0.28  -0.04   0.02    -0.17   0.02  -0.01     0.34  -0.02   0.03
    28   1     0.03  -0.11   0.28     0.04  -0.13   0.36     0.01  -0.04   0.12
    29   1     0.29  -0.07   0.02     0.37  -0.12   0.03     0.12  -0.04   0.01
    30   1     0.04  -0.10   0.29     0.05  -0.13   0.36    -0.01   0.03  -0.10
    31   1    -0.19  -0.24   0.02    -0.23  -0.33   0.03     0.05   0.09  -0.01
    32   1    -0.10   0.03   0.26     0.05  -0.01  -0.13     0.12  -0.03  -0.31
    33   1    -0.19  -0.19   0.02     0.10   0.10  -0.01     0.25   0.23  -0.03
    34   1    -0.10   0.01   0.27     0.09  -0.01  -0.24     0.12  -0.02  -0.33
    35   1    -0.10   0.26   0.02     0.11  -0.23  -0.02     0.15  -0.33  -0.03
    36   1     0.07   0.07   0.26    -0.07  -0.07  -0.25     0.08   0.08   0.30
    37   1    -0.08   0.27   0.02     0.05  -0.27  -0.02    -0.08   0.32   0.03
                     79                     80                     81
                      A                      A                      A
 Frequencies --   1659.4543              1667.5236              1668.0859
 Red. masses --      1.0788                 1.0780                 1.0776
 Frc consts  --      1.7504                 1.7660                 1.7667
 IR Inten    --      0.3598                31.2951                32.9982
 RamAct Fr= 1--      3.3408                 5.4652                 5.1899
  Dep-P Fr= 1--      0.7492                 0.7500                 0.7500
  Dep-U Fr= 1--      0.8567                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.4770                 0.7807                 0.7414
 AlphaG Fr= 1--     -0.0044                -0.0000                -0.0000
 Gamma2 Fr= 1--    -10.4333                 5.1975                 4.9822
 Delta2 Fr= 1--     -4.2662                 0.0837                -0.0668
 Raman1 Fr= 1--      13.363                 21.861                 20.760
 ROA1   Fr= 1--   -1138.118                501.636                476.154
 CID1   Fr= 1--     -85.168                 22.947                 22.937
 Raman2 Fr= 1--       5.724                  9.369                  8.897
 ROA2   Fr= 1--    -216.271                124.070                120.108
 CID2   Fr= 1--     -37.784                 13.243                 13.500
 Raman3 Fr= 1--      11.448                 18.738                 17.794
 ROA3   Fr= 1--   -1138.118                501.636                476.154
 CID3   Fr= 1--     -99.419                 26.771                 26.759
 RC180  Fr= 1--       0.713                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.01     0.00  -0.00   0.00    -0.00   0.00  -0.01
     2   6     0.00   0.00   0.01     0.00   0.00   0.01     0.00   0.00   0.01
     3   7     0.02  -0.01   0.02     0.03  -0.02   0.02     0.01  -0.00   0.01
     4  45    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
     5   7    -0.03  -0.00  -0.02     0.01   0.00   0.01    -0.03  -0.01  -0.02
     6   7     0.01  -0.01  -0.01    -0.01   0.02   0.02    -0.02   0.02   0.02
     7   6     0.00  -0.00  -0.01     0.00   0.00   0.01     0.00   0.00   0.00
     8   6    -0.00   0.00   0.01     0.00  -0.00  -0.01    -0.00   0.00   0.00
     9   7     0.00   0.02   0.02    -0.00  -0.02  -0.02     0.00   0.02   0.02
    10   7    -0.02  -0.01   0.02     0.01   0.00  -0.01     0.03   0.01  -0.03
    11   6    -0.00  -0.00   0.01     0.00   0.00   0.00     0.00   0.00  -0.01
    12   6     0.00   0.00  -0.01     0.00   0.00  -0.01    -0.00   0.00   0.00
    13   7     0.01   0.02  -0.02     0.01   0.03  -0.02    -0.00  -0.00   0.00
    14   1    -0.01   0.00  -0.01     0.01  -0.00   0.02    -0.01  -0.01  -0.00
    15   1     0.00  -0.01  -0.01    -0.01   0.01   0.01     0.00   0.00   0.00
    16   1    -0.01  -0.01   0.01     0.01   0.01  -0.02     0.01   0.00  -0.01
    17   1    -0.00   0.01   0.02    -0.01  -0.01  -0.01    -0.00   0.00  -0.00
    18   1     0.00  -0.02  -0.02    -0.01  -0.00  -0.01    -0.01   0.01   0.02
    19   1    -0.00   0.02  -0.02     0.00   0.01  -0.01     0.00  -0.01   0.01
    20   1     0.02   0.00   0.02     0.01  -0.01   0.01    -0.01  -0.01  -0.01
    21   1    -0.02  -0.00   0.02    -0.01   0.00   0.01     0.01   0.00  -0.01
    22   1     0.01   0.01  -0.02     0.00   0.02  -0.01     0.01   0.00  -0.01
    23   1    -0.01  -0.01  -0.02    -0.00  -0.01  -0.00    -0.01  -0.00  -0.01
    24   1    -0.01   0.01   0.02    -0.01  -0.01   0.00    -0.00   0.02   0.02
    25   1     0.01  -0.01   0.02     0.01  -0.00   0.01     0.01  -0.01   0.01
    26   1     0.06   0.06   0.32    -0.03  -0.03  -0.18     0.07   0.07   0.34
    27   1     0.33  -0.04   0.03    -0.18   0.03  -0.02     0.36  -0.03   0.03
    28   1    -0.03   0.07  -0.29    -0.04   0.10  -0.36    -0.01   0.03  -0.08
    29   1    -0.29   0.07  -0.03    -0.36   0.11  -0.03    -0.08   0.04  -0.01
    30   1     0.02  -0.07   0.28     0.03  -0.10   0.37    -0.01   0.01  -0.03
    31   1    -0.18  -0.23   0.03    -0.22  -0.32   0.03     0.01   0.03  -0.00
    32   1     0.09  -0.01  -0.31    -0.03   0.00   0.12    -0.11   0.02   0.39
    33   1     0.23   0.23  -0.03    -0.08  -0.09   0.01    -0.30  -0.27   0.03
    34   1    -0.05   0.02   0.21     0.07  -0.01  -0.23     0.08  -0.02  -0.32
    35   1    -0.08   0.20   0.02     0.11  -0.22  -0.02     0.14  -0.31  -0.03
    36   1    -0.03  -0.05  -0.23     0.06   0.07   0.29    -0.05  -0.06  -0.28
    37   1     0.07  -0.23  -0.02    -0.06   0.30   0.02     0.07  -0.29  -0.02
                     82                     83                     84
                      A                      A                      A
 Frequencies --   3071.0024              3071.1302              3071.5942
 Red. masses --      1.0632                 1.0632                 1.0630
 Frc consts  --      5.9078                 5.9081                 5.9089
 IR Inten    --      5.9240                 5.1293                 5.3972
 RamAct Fr= 1--    196.6559               260.4249               251.0859
  Dep-P Fr= 1--      0.0460                 0.0348                 0.0367
  Dep-U Fr= 1--      0.0879                 0.0673                 0.0707
 Alpha2 Fr= 1--      3.9219                 5.3325                 5.1193
 Beta2  Fr= 1--      2.8812                 2.9230                 2.9597
 AlphaG Fr= 1--      0.1737                 0.2385                 0.2142
 Gamma2 Fr= 1--     10.7340                -0.3740                 1.7041
 Delta2 Fr= 1--      9.5870                 2.9162                 4.1519
 Raman1 Fr= 1--     786.624               1041.700               1004.344
 ROA1   Fr= 1--    1337.251                 57.411                296.454
 CID1   Fr= 1--       1.700                  0.055                  0.295
 Raman2 Fr= 1--      34.575                 35.076                 35.517
 ROA2   Fr= 1--     180.921                -32.306                  7.684
 CID2   Fr= 1--       5.233                 -0.921                  0.216
 Raman3 Fr= 1--      69.149                 70.153                 71.033
 ROA3   Fr= 1--    1337.251                 57.411                296.454
 CID3   Fr= 1--      19.339                  0.818                  4.173
 RC180  Fr= 1--      -0.824                 -0.865                 -0.859
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.03  -0.02   0.03
     2   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.02  -0.03  -0.03
     3   7    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     4  45    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     5   7     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     6   7    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     7   6     0.00  -0.00   0.00     0.03  -0.02   0.03     0.00  -0.00   0.00
     8   6     0.00   0.00  -0.00     0.01   0.03  -0.03     0.00   0.00  -0.00
     9   7    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    10   7    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    11   6     0.03   0.00   0.03    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    12   6     0.00  -0.04  -0.04    -0.00   0.00   0.00    -0.00   0.00   0.00
    13   7     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    14   1    -0.03   0.01   0.01    -0.34   0.10   0.11    -0.01   0.00   0.00
    15   1     0.01  -0.04   0.02     0.16  -0.49   0.26     0.00  -0.01   0.01
    16   1    -0.02  -0.02  -0.01    -0.22  -0.30  -0.12    -0.00  -0.00  -0.00
    17   1    -0.01   0.04  -0.02    -0.18   0.51  -0.28    -0.00   0.01  -0.00
    18   1    -0.08   0.33  -0.11     0.01  -0.03   0.01     0.00  -0.00   0.00
    19   1    -0.34  -0.38  -0.26     0.03   0.03   0.02     0.00   0.00   0.00
    20   1    -0.38   0.04   0.12     0.03  -0.00  -0.01     0.01  -0.00  -0.00
    21   1     0.36   0.42   0.28    -0.03  -0.03  -0.02    -0.01  -0.01  -0.00
    22   1     0.00   0.00   0.00    -0.01  -0.01  -0.00     0.27   0.25   0.11
    23   1    -0.00   0.00   0.00     0.01  -0.00  -0.01    -0.51   0.11   0.27
    24   1    -0.00   0.01  -0.00     0.00  -0.01   0.00    -0.15   0.34  -0.12
    25   1     0.01  -0.00  -0.00    -0.01   0.00   0.00     0.52  -0.10  -0.27
    26   1    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01   0.00  -0.00
    27   1    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    28   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.01   0.00   0.00
    29   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    30   1    -0.01  -0.01   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    31   1     0.00  -0.01  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    32   1     0.00   0.01  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    33   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    34   1     0.00  -0.00   0.00     0.00  -0.01  -0.00    -0.00  -0.00  -0.00
    35   1     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    36   1    -0.00   0.00   0.00    -0.01   0.01   0.00    -0.00  -0.00   0.00
    37   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
                     85                     86                     87
                      A                      A                      A
 Frequencies --   3076.0315              3076.1921              3076.4755
 Red. masses --      1.0604                 1.0604                 1.0604
 Frc consts  --      5.9113                 5.9121                 5.9131
 IR Inten    --      3.5265                11.1498                10.0478
 RamAct Fr= 1--     15.5243                72.1908                65.0545
  Dep-P Fr= 1--      0.6957                 0.7499                 0.7500
  Dep-U Fr= 1--      0.8205                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0147                 0.0001                 0.0000
 Beta2  Fr= 1--      2.1230                10.3122                 9.2934
 AlphaG Fr= 1--      0.0003                -0.0000                -0.0000
 Gamma2 Fr= 1--     -1.5789                -7.5392                -6.9950
 Delta2 Fr= 1--     -1.8442                -8.8452                -7.9183
 Raman1 Fr= 1--      62.097                288.763                260.218
 ROA1   Fr= 1--    -210.589              -1006.813               -924.908
 CID1   Fr= 1--      -3.391                 -3.487                 -3.554
 Raman2 Fr= 1--      25.476                123.747                111.521
 ROA2   Fr= 1--     -23.140               -110.180               -104.534
 CID2   Fr= 1--      -0.908                 -0.890                 -0.937
 Raman3 Fr= 1--      50.952                247.493                223.042
 ROA3   Fr= 1--    -210.589              -1006.813               -924.908
 CID3   Fr= 1--      -4.133                 -4.068                 -4.147
 RC180  Fr= 1--       0.641                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01   0.01    -0.00  -0.00   0.00    -0.02  -0.03   0.03
     2   6    -0.00   0.01   0.01    -0.00   0.00   0.00    -0.01   0.04   0.03
     3   7     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     4  45     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     5   7     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     6   7     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     7   6     0.02  -0.00   0.02     0.03  -0.00   0.03    -0.01   0.00  -0.01
     8   6    -0.01  -0.01   0.02    -0.02  -0.02   0.03     0.00   0.00  -0.01
     9   7    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    10   7    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    11   6     0.03  -0.01   0.03    -0.02   0.01  -0.02    -0.00   0.00  -0.00
    12   6    -0.01   0.03   0.03     0.01  -0.02  -0.02     0.00  -0.00  -0.00
    13   7    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    14   1     0.24  -0.07  -0.08     0.40  -0.12  -0.13    -0.08   0.02   0.02
    15   1    -0.07   0.22  -0.12    -0.12   0.36  -0.20     0.02  -0.07   0.04
    16   1    -0.15  -0.20  -0.07    -0.24  -0.32  -0.12     0.05   0.07   0.03
    17   1    -0.07   0.21  -0.11    -0.11   0.33  -0.18     0.02  -0.07   0.04
    18   1    -0.10   0.41  -0.13     0.06  -0.26   0.08     0.02  -0.07   0.02
    19   1    -0.25  -0.29  -0.20     0.16   0.18   0.13     0.04   0.05   0.03
    20   1     0.38  -0.04  -0.12    -0.25   0.03   0.08    -0.06   0.01   0.02
    21   1    -0.22  -0.26  -0.18     0.15   0.17   0.12     0.04   0.04   0.03
    22   1    -0.07  -0.07  -0.03    -0.02  -0.02  -0.01    -0.35  -0.33  -0.15
    23   1     0.09  -0.02  -0.05     0.03  -0.01  -0.01     0.42  -0.08  -0.22
    24   1    -0.04   0.09  -0.03    -0.02   0.03  -0.01    -0.19   0.43  -0.14
    25   1     0.09  -0.02  -0.05     0.03  -0.01  -0.02     0.41  -0.08  -0.22
    26   1    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    27   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.01
    28   1    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    29   1    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.01
    30   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    31   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    32   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    33   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    34   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    35   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    36   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    37   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
                     88                     89                     90
                      A                      A                      A
 Frequencies --   3116.6589              3116.7471              3116.9752
 Red. masses --      1.1078                 1.1079                 1.1080
 Frc consts  --      6.3401                 6.3408                 6.3426
 IR Inten    --     11.5299                10.4188                 1.2212
 RamAct Fr= 1--    142.6556               149.0593               198.0990
  Dep-P Fr= 1--      0.7332                 0.6158                 0.1272
  Dep-U Fr= 1--      0.8461                 0.7623                 0.2256
 Alpha2 Fr= 1--      0.0410                 0.3667                 3.2433
 Beta2  Fr= 1--     20.1161                18.9369                 7.4501
 AlphaG Fr= 1--     -0.0248                -0.2210                -1.9979
 Gamma2 Fr= 1--    -21.5946                -9.2772               105.9298
 Delta2 Fr= 1--    -36.0644               -25.5324                72.3600
 Raman1 Fr= 1--     570.622                596.237                792.396
 ROA1   Fr= 1--   -3227.143              -1707.652              12484.784
 CID1   Fr= 1--      -5.655                 -2.864                 15.756
 Raman2 Fr= 1--     241.393                227.243                 89.401
 ROA2   Fr= 1--    -229.756                -18.395               1963.436
 CID2   Fr= 1--      -0.952                 -0.081                 21.962
 Raman3 Fr= 1--     482.786                454.486                178.801
 ROA3   Fr= 1--   -3227.143              -1707.652              12484.784
 CID3   Fr= 1--      -6.684                 -3.757                 69.825
 RC180  Fr= 1--       0.692                  0.525                 -0.549
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.03  -0.03   0.00     0.04  -0.04   0.00
     2   6     0.01   0.00   0.00    -0.04  -0.02  -0.00    -0.05  -0.02  -0.00
     3   7    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     4  45     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     5   7     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     6   7     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     7   6    -0.01  -0.04  -0.00    -0.01  -0.05  -0.00     0.01   0.03   0.00
     8   6    -0.03   0.02   0.00    -0.04   0.03   0.00     0.02  -0.02  -0.00
     9   7     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    10   7    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    11   6     0.01   0.05  -0.00    -0.00  -0.03   0.00     0.00   0.03  -0.00
    12   6    -0.05  -0.01   0.00     0.03   0.01  -0.00    -0.03  -0.01   0.00
    13   7     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    14   1     0.30  -0.08  -0.10     0.38  -0.10  -0.13    -0.24   0.07   0.08
    15   1     0.05  -0.18   0.10     0.07  -0.22   0.12    -0.04   0.14  -0.08
    16   1     0.19   0.25   0.10     0.24   0.32   0.13    -0.15  -0.20  -0.08
    17   1    -0.06   0.17  -0.10    -0.08   0.22  -0.13     0.05  -0.14   0.08
    18   1     0.12  -0.45   0.15    -0.06   0.22  -0.08     0.05  -0.21   0.07
    19   1    -0.18  -0.20  -0.14     0.09   0.10   0.07    -0.09  -0.09  -0.07
    20   1     0.47  -0.06  -0.16    -0.23   0.03   0.08     0.22  -0.03  -0.07
    21   1     0.17   0.21   0.15    -0.09  -0.10  -0.07     0.08   0.10   0.07
    22   1    -0.03  -0.03  -0.02     0.23   0.23   0.11     0.32   0.32   0.15
    23   1    -0.03   0.01   0.02     0.19  -0.04  -0.10     0.26  -0.06  -0.14
    24   1     0.02  -0.05   0.02    -0.13   0.30  -0.11    -0.18   0.42  -0.15
    25   1     0.03  -0.01  -0.02    -0.19   0.03   0.10    -0.27   0.05   0.14
    26   1    -0.00   0.00   0.00     0.01  -0.00  -0.00     0.01  -0.01  -0.00
    27   1    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    28   1     0.00  -0.00  -0.00    -0.01  -0.00   0.00    -0.01  -0.00   0.00
    29   1     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    30   1    -0.01  -0.01  -0.00     0.01   0.00   0.00    -0.01  -0.00  -0.00
    31   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    32   1     0.01   0.01   0.00    -0.00  -0.01  -0.00     0.00   0.01   0.00
    33   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    34   1     0.00  -0.01   0.00    -0.00  -0.01   0.00     0.00   0.01  -0.00
    35   1     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    36   1    -0.01   0.01  -0.00    -0.01   0.01  -0.00     0.00  -0.00   0.00
    37   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
                     91                     92                     93
                      A                      A                      A
 Frequencies --   3127.2569              3127.3503              3127.6214
 Red. masses --      1.1101                 1.1102                 1.1101
 Frc consts  --      6.3967                 6.3972                 6.3980
 IR Inten    --      1.0789                 3.9465                 4.4449
 RamAct Fr= 1--     76.3956                48.9751                43.2463
  Dep-P Fr= 1--      0.7500                 0.7500                 0.7500
  Dep-U Fr= 1--      0.8571                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--     10.9137                 6.9964                 6.1780
 AlphaG Fr= 1--     -0.0000                -0.0000                -0.0000
 Gamma2 Fr= 1--    -51.6808               -33.1533               -29.4738
 Delta2 Fr= 1--     -6.3067                -4.0695                -3.6011
 Raman1 Fr= 1--     305.582                195.901                172.985
 ROA1   Fr= 1--   -5163.173              -3312.938              -2944.724
 CID1   Fr= 1--     -16.896                -16.911                -17.023
 Raman2 Fr= 1--     130.964                 83.957                 74.136
 ROA2   Fr= 1--   -1189.886               -763.123               -678.563
 CID2   Fr= 1--      -9.086                 -9.089                 -9.153
 Raman3 Fr= 1--     261.928                167.914                148.273
 ROA3   Fr= 1--   -5163.173              -3312.938              -2944.724
 CID3   Fr= 1--     -19.712                -19.730                -19.860
 RC180  Fr= 1--       0.714                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.01   0.01   0.00    -0.05   0.04   0.01
     2   6    -0.00  -0.00   0.00    -0.01  -0.00   0.00    -0.06  -0.02   0.01
     3   7     0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     4  45    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     5   7     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     6   7    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     7   6    -0.00  -0.02   0.00     0.01   0.06  -0.01    -0.00  -0.01   0.00
     8   6     0.02  -0.02   0.00    -0.05   0.04  -0.01     0.01  -0.01   0.00
     9   7    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    10   7     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    11   6    -0.02  -0.06  -0.01    -0.01  -0.02  -0.00     0.00   0.01   0.00
    12   6    -0.06  -0.02  -0.01    -0.02  -0.01  -0.00     0.01   0.00   0.00
    13   7     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    14   1    -0.16   0.04   0.05     0.42  -0.11  -0.14    -0.05   0.01   0.02
    15   1    -0.05   0.15  -0.08     0.13  -0.40   0.23    -0.02   0.05  -0.03
    16   1     0.10   0.13   0.05    -0.26  -0.34  -0.14     0.03   0.04   0.02
    17   1    -0.05   0.14  -0.08     0.14  -0.39   0.22    -0.02   0.05  -0.03
    18   1    -0.11   0.42  -0.15    -0.04   0.15  -0.05     0.01  -0.04   0.01
    19   1     0.28   0.31   0.23     0.10   0.11   0.08    -0.03  -0.03  -0.02
    20   1     0.43  -0.05  -0.14     0.15  -0.02  -0.05    -0.05   0.01   0.02
    21   1     0.26   0.32   0.22     0.09   0.11   0.08    -0.03  -0.03  -0.02
    22   1     0.02   0.01   0.01     0.05   0.05   0.02     0.32   0.32   0.15
    23   1     0.02  -0.00  -0.01     0.06  -0.01  -0.04     0.43  -0.10  -0.24
    24   1     0.01  -0.02   0.01     0.02  -0.06   0.02     0.18  -0.42   0.15
    25   1     0.02  -0.00  -0.01     0.06  -0.01  -0.03     0.43  -0.08  -0.24
    26   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.01   0.01   0.01
    27   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    28   1    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.02  -0.00   0.01
    29   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    30   1    -0.01  -0.01  -0.01    -0.01  -0.00  -0.00     0.00  -0.00   0.00
    31   1     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    32   1    -0.00  -0.02  -0.01    -0.00  -0.01  -0.00     0.00   0.00   0.00
    33   1    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    34   1     0.00  -0.01   0.00     0.00   0.02  -0.01    -0.00  -0.00   0.00
    35   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    36   1     0.00  -0.00   0.00    -0.01   0.01  -0.01     0.00  -0.00   0.00
    37   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
                     94                     95                     96
                      A                      A                      A
 Frequencies --   3431.9158              3432.0260              3433.1910
 Red. masses --      1.0523                 1.0523                 1.0528
 Frc consts  --      7.3022                 7.3027                 7.3109
 IR Inten    --     50.8998                48.8915                72.3742
 RamAct Fr= 1--     11.5629                10.7388                 9.1953
  Dep-P Fr= 1--      0.6784                 0.7475                 0.7500
  Dep-U Fr= 1--      0.8084                 0.8555                 0.8571
 Alpha2 Fr= 1--      0.0146                 0.0004                 0.0000
 Beta2  Fr= 1--      1.5578                 1.5312                 1.3136
 AlphaG Fr= 1--      0.0028                 0.0004                -0.0000
 Gamma2 Fr= 1--     14.0579                13.8354                -3.2817
 Delta2 Fr= 1--      0.8286                 0.2983                 0.2051
 Raman1 Fr= 1--      46.252                 42.955                 36.781
 ROA1   Fr= 1--    1376.070               1337.739               -308.479
 CID1   Fr= 1--      29.752                 31.143                 -8.387
 Raman2 Fr= 1--      18.694                 18.375                 15.763
 ROA2   Fr= 1--     330.760                329.662                -80.401
 CID2   Fr= 1--      17.693                 17.941                 -5.101
 Raman3 Fr= 1--      37.388                 36.749                 31.527
 ROA3   Fr= 1--    1376.070               1337.739               -308.479
 CID3   Fr= 1--      36.805                 36.402                 -9.785
 RC180  Fr= 1--       0.617                  0.711                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     2   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     3   7    -0.03   0.01  -0.02     0.00  -0.00   0.00    -0.03   0.01  -0.02
     4  45    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     5   7     0.00  -0.00   0.00    -0.03   0.00  -0.02    -0.02   0.00  -0.01
     6   7     0.01  -0.02  -0.02    -0.00   0.01   0.01    -0.00   0.00   0.00
     7   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     8   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     9   7    -0.00   0.01   0.01    -0.01   0.02   0.02     0.00  -0.00  -0.00
    10   7    -0.01  -0.01   0.01     0.02   0.02  -0.02     0.01   0.01  -0.01
    11   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    12   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    13   7    -0.01  -0.02   0.02    -0.01  -0.01   0.01     0.02   0.02  -0.02
    14   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    15   1     0.00  -0.00   0.00     0.00  -0.01   0.00    -0.00   0.00  -0.00
    16   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    17   1    -0.00   0.01  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    18   1    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    19   1     0.00   0.00   0.00    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00
    20   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01  -0.00   0.00
    21   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.01  -0.00
    22   1     0.00   0.00   0.00     0.00   0.00   0.00     0.01   0.00   0.00
    23   1     0.01  -0.00  -0.00    -0.00   0.00   0.00     0.01  -0.00  -0.00
    24   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    25   1    -0.00   0.00   0.00     0.01  -0.00  -0.00     0.00  -0.00  -0.00
    26   1    -0.05   0.02   0.01     0.41  -0.13  -0.08     0.26  -0.08  -0.05
    27   1     0.01  -0.01  -0.04    -0.05   0.07   0.37    -0.03   0.04   0.23
    28   1     0.46  -0.04  -0.09    -0.06   0.01   0.01     0.48  -0.04  -0.09
    29   1    -0.08  -0.05   0.41     0.01   0.01  -0.05    -0.08  -0.05   0.41
    30   1     0.24   0.22   0.06     0.21   0.19   0.05    -0.35  -0.32  -0.09
    31   1    -0.06  -0.01  -0.28    -0.05  -0.01  -0.25     0.09   0.01   0.40
    32   1     0.10   0.14   0.03    -0.22  -0.32  -0.07    -0.08  -0.11  -0.03
    33   1     0.00  -0.03  -0.15    -0.00   0.07   0.34    -0.00   0.02   0.11
    34   1    -0.08   0.35  -0.07     0.03  -0.15   0.03     0.01  -0.07   0.01
    35   1    -0.03  -0.06   0.31     0.01   0.03  -0.13     0.01   0.01  -0.07
    36   1     0.10  -0.22   0.05     0.14  -0.29   0.06    -0.02   0.05  -0.01
    37   1    -0.04   0.02  -0.22    -0.05   0.03  -0.28     0.01  -0.00   0.03
                     97                     98                     99
                      A                      A                      A
 Frequencies --   3433.3452              3433.4408              3435.2884
 Red. masses --      1.0530                 1.0528                 1.0527
 Frc consts  --      7.3130                 7.3126                 7.3198
 IR Inten    --     16.8195                53.0647                 0.1413
 RamAct Fr= 1--     18.3013                12.2699               484.1154
  Dep-P Fr= 1--      0.7431                 0.7175                 0.0033
  Dep-U Fr= 1--      0.8526                 0.8355                 0.0067
 Alpha2 Fr= 1--      0.0021                 0.0069                10.6745
 Beta2  Fr= 1--      2.6007                 1.7086                 0.5377
 AlphaG Fr= 1--      0.0003                 0.0022                 2.8383
 Gamma2 Fr= 1--     -6.9160                -4.8172               -14.1055
 Delta2 Fr= 1--      0.0782                -0.1272                -1.2483
 Raman1 Fr= 1--      73.205                 49.080               1936.461
 ROA1   Fr= 1--    -661.437               -466.519              -1394.076
 CID1   Fr= 1--      -9.035                 -9.505                 -0.720
 Raman2 Fr= 1--      31.209                 20.503                  6.452
 ROA2   Fr= 1--    -166.611               -114.594               -328.547
 CID2   Fr= 1--      -5.339                 -5.589                -50.919
 Raman3 Fr= 1--      62.418                 41.007                 12.905
 ROA3   Fr= 1--    -661.437               -466.519              -1394.076
 CID3   Fr= 1--     -10.597                -11.377               -108.029
 RC180  Fr= 1--       0.705                  0.671                 -0.987
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     2   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
     3   7    -0.00   0.00  -0.00     0.01  -0.00   0.01     0.02  -0.00   0.01
     4  45     0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     5   7    -0.03   0.00  -0.02     0.00  -0.00   0.00    -0.02   0.00  -0.01
     6   7     0.00  -0.00  -0.00     0.01  -0.03  -0.03     0.01  -0.02  -0.01
     7   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     8   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     9   7     0.01  -0.03  -0.02     0.00  -0.01  -0.01    -0.01   0.02   0.02
    10   7    -0.01  -0.01   0.01     0.02   0.02  -0.02    -0.01  -0.01   0.01
    11   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    12   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
    13   7    -0.01  -0.01   0.01     0.00   0.00  -0.00     0.01   0.01  -0.01
    14   1    -0.01   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    15   1    -0.00   0.01  -0.00    -0.00   0.00  -0.00     0.00  -0.01   0.00
    16   1     0.00   0.00   0.00     0.00   0.01   0.00     0.00   0.00   0.00
    17   1     0.00  -0.00   0.00    -0.00   0.01  -0.00    -0.00   0.00  -0.00
    18   1    -0.00   0.00  -0.00     0.00  -0.01   0.00     0.00   0.00  -0.00
    19   1     0.00   0.00   0.00    -0.01  -0.01  -0.00     0.00   0.00   0.00
    20   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    21   1     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    22   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    23   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    24   1     0.00  -0.01   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    25   1     0.01  -0.00  -0.00    -0.00  -0.00  -0.00     0.01  -0.00  -0.00
    26   1     0.43  -0.14  -0.08    -0.01   0.00   0.00     0.29  -0.09  -0.06
    27   1    -0.05   0.07   0.38     0.00  -0.00  -0.02    -0.03   0.04   0.25
    28   1     0.01  -0.00  -0.00    -0.10   0.01   0.02    -0.29   0.02   0.05
    29   1    -0.00  -0.00   0.01     0.02   0.01  -0.10     0.04   0.03  -0.24
    30   1     0.17   0.16   0.04    -0.05  -0.04  -0.01    -0.22  -0.20  -0.06
    31   1    -0.04  -0.00  -0.21     0.01   0.00   0.04     0.05   0.01   0.24
    32   1     0.14   0.20   0.05    -0.25  -0.36  -0.08     0.18   0.26   0.06
    33   1     0.00  -0.05  -0.22    -0.00   0.08   0.37     0.00  -0.06  -0.26
    34   1    -0.01   0.05  -0.01    -0.12   0.54  -0.10    -0.07   0.30  -0.06
    35   1    -0.00  -0.01   0.04    -0.04  -0.09   0.46    -0.02  -0.05   0.25
    36   1    -0.20   0.43  -0.09    -0.09   0.20  -0.04     0.14  -0.30   0.06
    37   1     0.08  -0.04   0.41     0.04  -0.02   0.18    -0.05   0.03  -0.27
                    100                    101                    102
                      A                      A                      A
 Frequencies --   3480.5121              3480.6768              3481.2609
 Red. masses --      1.0928                 1.0928                 1.0928
 Frc consts  --      7.8000                 7.8001                 7.8028
 IR Inten    --      5.8664                11.4175                17.3769
 RamAct Fr= 1--      4.7611                 2.1734                12.6415
  Dep-P Fr= 1--      0.7491                 0.7497                 0.7485
  Dep-U Fr= 1--      0.8566                 0.8569                 0.8562
 Alpha2 Fr= 1--      0.0001                 0.0000                 0.0003
 Beta2  Fr= 1--      0.6797                 0.3104                 1.8039
 AlphaG Fr= 1--     -0.0005                -0.0001                -0.0022
 Gamma2 Fr= 1--     -9.4091                -5.3855                -1.4176
 Delta2 Fr= 1--      0.6878                -0.3051                13.8077
 Raman1 Fr= 1--      19.044                  8.693                 50.566
 ROA1   Fr= 1--    -881.263               -526.770                305.757
 CID1   Fr= 1--     -46.274                -60.594                  6.047
 Raman2 Fr= 1--       8.157                  3.725                 21.646
 ROA2   Fr= 1--    -231.321               -126.811               -144.484
 CID2   Fr= 1--     -28.360                -34.045                 -6.675
 Raman3 Fr= 1--      16.313                  7.450                 43.293
 ROA3   Fr= 1--    -881.263               -526.770                305.757
 CID3   Fr= 1--     -54.022                -70.712                  7.063
 RC180  Fr= 1--       0.713                  0.714                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     2   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     3   7     0.03   0.00  -0.04    -0.02  -0.00   0.02    -0.03  -0.00   0.03
     4  45    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
     5   7    -0.02   0.01   0.02    -0.02   0.01   0.03    -0.01   0.01   0.02
     6   7     0.00  -0.01   0.01    -0.00   0.02  -0.03     0.00  -0.02   0.02
     7   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     8   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     9   7     0.01  -0.02   0.03     0.01  -0.01   0.02    -0.01   0.02  -0.02
    10   7     0.00   0.00   0.01    -0.01  -0.03  -0.03     0.00   0.00   0.00
    11   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    12   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    13   7    -0.02  -0.02  -0.03     0.00   0.00   0.00    -0.03  -0.02  -0.04
    14   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    15   1    -0.00   0.01  -0.00    -0.00   0.01  -0.00     0.00  -0.01   0.00
    16   1    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    17   1    -0.00   0.00  -0.00     0.00  -0.01   0.00    -0.00   0.00  -0.00
    18   1     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    19   1    -0.00  -0.00  -0.00     0.01   0.01   0.01     0.00   0.00   0.00
    20   1     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    21   1     0.01   0.01   0.01    -0.00  -0.00  -0.00     0.01   0.01   0.01
    22   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    23   1    -0.01   0.00   0.01     0.01  -0.00  -0.00     0.01  -0.00  -0.01
    24   1     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    25   1     0.01  -0.00  -0.00     0.01  -0.00  -0.01     0.01  -0.00  -0.00
    26   1     0.23  -0.07  -0.03     0.31  -0.10  -0.05     0.19  -0.06  -0.03
    27   1     0.02  -0.04  -0.28     0.03  -0.06  -0.38     0.02  -0.03  -0.22
    28   1    -0.40   0.03   0.06     0.20  -0.02  -0.03     0.32  -0.03  -0.05
    29   1    -0.06  -0.05   0.45     0.03   0.03  -0.23     0.05   0.04  -0.36
    30   1     0.25   0.23   0.05    -0.02  -0.02  -0.00     0.31   0.28   0.06
    31   1     0.07  -0.00   0.39    -0.01   0.00  -0.03     0.08  -0.00   0.47
    32   1    -0.03  -0.05  -0.01     0.21   0.30   0.05    -0.01  -0.01  -0.00
    33   1     0.00  -0.01  -0.07    -0.01   0.07   0.42     0.00  -0.00  -0.01
    34   1    -0.02   0.08  -0.01     0.06  -0.29   0.04    -0.04   0.18  -0.03
    35   1     0.01   0.01  -0.10    -0.03  -0.05   0.34     0.02   0.03  -0.22
    36   1    -0.12   0.26  -0.04    -0.09   0.19  -0.03     0.12  -0.25   0.04
    37   1    -0.05   0.02  -0.32    -0.04   0.01  -0.24     0.05  -0.02   0.30
                    103                    104                    105
                      A                      A                      A
 Frequencies --   3481.4209              3482.6859              3483.3025
 Red. masses --      1.0927                 1.0926                 1.0920
 Frc consts  --      7.8030                 7.8077                 7.8068
 IR Inten    --     22.6433               144.8284                 0.2839
 RamAct Fr= 1--     10.1282                 0.2666               147.6631
  Dep-P Fr= 1--      0.7496                 0.6180                 0.6962
  Dep-U Fr= 1--      0.8569                 0.7639                 0.8209
 Alpha2 Fr= 1--      0.0001                 0.0006                 0.1387
 Beta2  Fr= 1--      1.4465                 0.0339                20.2032
 AlphaG Fr= 1--     -0.0008                -0.0017                -0.7464
 Gamma2 Fr= 1--      2.2599                 0.0569                26.5936
 Delta2 Fr= 1--     12.8660                -0.0341               -34.0106
 Raman1 Fr= 1--      40.513                  1.067                590.653
 ROA1   Fr= 1--     628.659                  4.370               1464.649
 CID1   Fr= 1--      15.517                  4.098                  2.480
 Raman2 Fr= 1--      17.358                  0.407                242.439
 ROA2   Fr= 1--     -48.691                  1.638                910.332
 CID2   Fr= 1--      -2.805                  4.021                  3.755
 Raman3 Fr= 1--      34.716                  0.815                484.878
 ROA3   Fr= 1--     628.659                  4.370               1464.649
 CID3   Fr= 1--      18.109                  5.364                  3.021
 RC180  Fr= 1--       0.714                  0.528                  0.642
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     2   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     3   7    -0.01  -0.00   0.01     0.02   0.00  -0.02     0.02   0.00  -0.02
     4  45    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
     5   7     0.02  -0.01  -0.03     0.02  -0.01  -0.02    -0.02   0.01   0.02
     6   7     0.00  -0.03   0.03    -0.00   0.02  -0.03     0.00  -0.02   0.03
     7   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     8   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     9   7     0.01  -0.02   0.02    -0.01   0.02  -0.03    -0.01   0.02  -0.03
    10   7    -0.01  -0.03  -0.03    -0.01  -0.02  -0.03    -0.01  -0.02  -0.03
    11   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    12   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    13   7    -0.01  -0.00  -0.01    -0.02  -0.01  -0.03     0.02   0.01   0.02
    14   1    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    15   1    -0.00   0.01  -0.00     0.00  -0.01   0.00     0.00  -0.01   0.00
    16   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    17   1    -0.00   0.01  -0.01     0.00  -0.01   0.01    -0.00   0.01  -0.00
    18   1    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    19   1     0.01   0.01   0.01     0.01   0.00   0.00     0.01   0.01   0.00
    20   1     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    21   1     0.00   0.00   0.00     0.00   0.01   0.00    -0.00  -0.00  -0.00
    22   1     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    23   1     0.00  -0.00  -0.00    -0.01   0.00   0.00    -0.01   0.00   0.00
    24   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    25   1    -0.01   0.00   0.00    -0.01   0.00   0.00     0.01  -0.00  -0.00
    26   1    -0.30   0.10   0.04    -0.22   0.07   0.03     0.22  -0.07  -0.03
    27   1    -0.03   0.05   0.36    -0.02   0.05   0.29     0.02  -0.04  -0.28
    28   1     0.10  -0.01  -0.01    -0.22   0.02   0.03    -0.23   0.02   0.03
    29   1     0.01   0.01  -0.11    -0.04  -0.03   0.26    -0.04  -0.03   0.28
    30   1     0.07   0.07   0.01     0.19   0.17   0.03    -0.17  -0.15  -0.03
    31   1     0.02  -0.00   0.11     0.05  -0.00   0.31    -0.05   0.00  -0.28
    32   1     0.20   0.29   0.05     0.15   0.21   0.04     0.16   0.23   0.04
    33   1    -0.01   0.07   0.40    -0.01   0.05   0.31    -0.01   0.06   0.34
    34   1    -0.07   0.33  -0.05     0.06  -0.29   0.04    -0.06   0.26  -0.04
    35   1     0.04   0.06  -0.38    -0.03  -0.05   0.37     0.03   0.05  -0.33
    36   1    -0.11   0.24  -0.04     0.11  -0.24   0.04     0.12  -0.25   0.04
    37   1    -0.05   0.02  -0.30     0.05  -0.02   0.31     0.05  -0.02   0.34

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  7 and mass  14.00307
 Atom     4 has atomic number 45 and mass 102.90480
 Atom     5 has atomic number  7 and mass  14.00307
 Atom     6 has atomic number  7 and mass  14.00307
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  7 and mass  14.00307
 Atom    10 has atomic number  7 and mass  14.00307
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  7 and mass  14.00307
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Atom    28 has atomic number  1 and mass   1.00783
 Atom    29 has atomic number  1 and mass   1.00783
 Atom    30 has atomic number  1 and mass   1.00783
 Atom    31 has atomic number  1 and mass   1.00783
 Atom    32 has atomic number  1 and mass   1.00783
 Atom    33 has atomic number  1 and mass   1.00783
 Atom    34 has atomic number  1 and mass   1.00783
 Atom    35 has atomic number  1 and mass   1.00783
 Atom    36 has atomic number  1 and mass   1.00783
 Atom    37 has atomic number  1 and mass   1.00783
 Molecular mass:   283.11104 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  2615.131202615.504363783.53931
           X            0.99999   0.00483  -0.00000
           Y           -0.00483   0.99999  -0.00000
           Z            0.00000   0.00000   1.00000
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.03312     0.03312     0.02289
 Rotational constants (GHZ):           0.69011     0.69002     0.47700
 Zero-point vibrational energy     925907.1 (Joules/Mol)
                                  221.29712 (Kcal/Mol)
 Warning -- explicit consideration of  24 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    114.10   118.20   128.94   209.26   210.18
          (Kelvin)            240.74   313.12   316.45   324.91   362.40
                              416.54   417.44   448.76   477.78   478.85
                              578.84   579.97   580.63   664.81   665.82
                              727.66   752.77   803.41   804.57   972.86
                              973.22  1027.22  1079.69  1079.91  1097.59
                             1245.36  1245.43  1248.00  1252.85  1255.61
                             1255.78  1413.26  1414.68  1414.99  1434.21
                             1434.86  1452.72  1507.14  1507.27  1511.86
                             1594.83  1608.13  1609.00  1685.92  1686.46
                             1716.53  1763.58  1764.16  1794.26  1857.63
                             1857.67  1864.70  1916.23  1916.56  1930.01
                             1936.97  1940.13  1940.20  2020.80  2022.24
                             2022.50  2076.36  2076.80  2081.31  2162.01
                             2162.37  2162.52  2162.94  2163.31  2163.86
                             2365.02  2384.34  2385.20  2387.58  2399.19
                             2400.00  4418.49  4418.67  4419.34  4425.72
                             4425.95  4426.36  4484.18  4484.30  4484.63
                             4499.43  4499.56  4499.95  4937.76  4937.92
                             4939.60  4939.82  4939.96  4942.61  5007.68
                             5007.92  5008.76  5008.99  5010.81  5011.70
 
 Zero-point correction=                           0.352659 (Hartree/Particle)
 Thermal correction to Energy=                    0.367690
 Thermal correction to Enthalpy=                  0.368634
 Thermal correction to Gibbs Free Energy=         0.312034
 Sum of electronic and zero-point Energies=           -681.282277
 Sum of electronic and thermal Energies=              -681.267247
 Sum of electronic and thermal Enthalpies=            -681.266303
 Sum of electronic and thermal Free Energies=         -681.322903
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  230.729             60.543            119.125
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             42.820
 Rotational               0.889              2.981             31.626
 Vibrational            228.951             54.582             44.679
 Vibration     1          0.600              1.963              3.908
 Vibration     2          0.600              1.961              3.839
 Vibration     3          0.602              1.957              3.668
 Vibration     4          0.617              1.908              2.731
 Vibration     5          0.617              1.907              2.723
 Vibration     6          0.624              1.883              2.465
 Vibration     7          0.646              1.814              1.979
 Vibration     8          0.647              1.811              1.960
 Vibration     9          0.650              1.802              1.912
 Vibration    10          0.664              1.760              1.717
 Vibration    11          0.686              1.693              1.477
 Vibration    12          0.686              1.692              1.473
 Vibration    13          0.700              1.651              1.352
 Vibration    14          0.714              1.611              1.250
 Vibration    15          0.715              1.610              1.246
 Vibration    16          0.768              1.465              0.954
 Vibration    17          0.768              1.463              0.951
 Vibration    18          0.769              1.462              0.950
 Vibration    19          0.820              1.334              0.760
 Vibration    20          0.820              1.333              0.758
 Vibration    21          0.861              1.237              0.644
 Vibration    22          0.878              1.199              0.603
 Vibration    23          0.914              1.121              0.527
 Vibration    24          0.915              1.120              0.525
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.298277-143       -143.525381       -330.479402
 Total V=0       0.485893D+19         18.686540         43.027349
 Vib (Bot)       0.874804-158       -158.058089       -363.942200
 Vib (Bot)    1  0.259709D+01          0.414487          0.954391
 Vib (Bot)    2  0.250608D+01          0.398995          0.918721
 Vib (Bot)    3  0.229433D+01          0.360656          0.830441
 Vib (Bot)    4  0.139595D+01          0.144871          0.333577
 Vib (Bot)    5  0.138956D+01          0.142877          0.328988
 Vib (Bot)    6  0.120546D+01          0.081151          0.186857
 Vib (Bot)    7  0.909797D+00         -0.041056         -0.094534
 Vib (Bot)    8  0.899361D+00         -0.046066         -0.106071
 Vib (Bot)    9  0.873766D+00         -0.058605         -0.134943
 Vib (Bot)   10  0.774156D+00         -0.111172         -0.255982
 Vib (Bot)   11  0.660713D+00         -0.179987         -0.414435
 Vib (Bot)   12  0.659060D+00         -0.181075         -0.416941
 Vib (Bot)   13  0.605579D+00         -0.217829         -0.501570
 Vib (Bot)   14  0.561943D+00         -0.250308         -0.576356
 Vib (Bot)   15  0.560430D+00         -0.251479         -0.579051
 Vib (Bot)   16  0.442279D+00         -0.354303         -0.815814
 Vib (Bot)   17  0.441159D+00         -0.355405         -0.818349
 Vib (Bot)   18  0.440512D+00         -0.356042         -0.819817
 Vib (Bot)   19  0.367474D+00         -0.434773         -1.001102
 Vib (Bot)   20  0.366702D+00         -0.435687         -1.003207
 Vib (Bot)   21  0.323308D+00         -0.490384         -1.129150
 Vib (Bot)   22  0.307608D+00         -0.512003         -1.178930
 Vib (Bot)   23  0.278770D+00         -0.554754         -1.277369
 Vib (Bot)   24  0.278152D+00         -0.555717         -1.279586
 Vib (V=0)       0.142506D+05          4.153832          9.564552
 Vib (V=0)    1  0.314478D+01          0.497590          1.145744
 Vib (V=0)    2  0.305548D+01          0.485079          1.116935
 Vib (V=0)    3  0.284818D+01          0.454567          1.046680
 Vib (V=0)    4  0.198280D+01          0.297278          0.684508
 Vib (V=0)    5  0.197678D+01          0.295958          0.681469
 Vib (V=0)    6  0.180504D+01          0.256486          0.590581
 Vib (V=0)    7  0.153814D+01          0.186995          0.430572
 Vib (V=0)    8  0.152900D+01          0.184409          0.424617
 Vib (V=0)    9  0.150671D+01          0.178030          0.409929
 Vib (V=0)   10  0.142158D+01          0.152773          0.351772
 Vib (V=0)   11  0.132858D+01          0.123387          0.284109
 Vib (V=0)   12  0.132726D+01          0.122956          0.283117
 Vib (V=0)   13  0.128532D+01          0.109011          0.251007
 Vib (V=0)   14  0.125218D+01          0.097668          0.224889
 Vib (V=0)   15  0.125105D+01          0.097276          0.223986
 Vib (V=0)   16  0.116754D+01          0.067272          0.154900
 Vib (V=0)   17  0.116680D+01          0.066996          0.154264
 Vib (V=0)   18  0.116637D+01          0.066837          0.153898
 Vib (V=0)   19  0.112051D+01          0.049417          0.113787
 Vib (V=0)   20  0.112006D+01          0.049240          0.113379
 Vib (V=0)   21  0.109542D+01          0.039582          0.091140
 Vib (V=0)   22  0.108705D+01          0.036248          0.083463
 Vib (V=0)   23  0.107246D+01          0.030382          0.069957
 Vib (V=0)   24  0.107216D+01          0.030260          0.069677
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.187236D+09          8.272389         19.047880
 Rotational      0.182104D+07          6.260319         14.414918
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000006233    0.000003792    0.000013588
      2        6           0.000003663   -0.000022719    0.000009299
      3        7           0.000016343   -0.000009128    0.000049379
      4       45           0.000039110   -0.000051583   -0.000155007
      5        7           0.000040785   -0.000006110    0.000005553
      6        7           0.000004408    0.000051506    0.000029114
      7        6           0.000003792    0.000000458    0.000019055
      8        6          -0.000007472    0.000016456   -0.000001446
      9        7          -0.000023816    0.000059023    0.000043525
     10        7          -0.000003878   -0.000037462    0.000058952
     11        6          -0.000027452   -0.000006994    0.000040184
     12        6          -0.000019286   -0.000022559    0.000041811
     13        7           0.000004558   -0.000033502   -0.000013665
     14        1          -0.000000986   -0.000000830   -0.000001116
     15        1          -0.000024741    0.000020333   -0.000000892
     16        1           0.000000146   -0.000002592   -0.000000369
     17        1          -0.000018254   -0.000012697   -0.000008347
     18        1           0.000001830    0.000002303    0.000003182
     19        1          -0.000011340   -0.000020433   -0.000006881
     20        1           0.000000357    0.000001881    0.000002761
     21        1           0.000023155    0.000011700    0.000010013
     22        1          -0.000003201    0.000002074   -0.000005230
     23        1          -0.000000702   -0.000007617   -0.000018032
     24        1          -0.000001547   -0.000001040   -0.000004740
     25        1           0.000002588    0.000020177   -0.000002535
     26        1           0.000026413   -0.000010103   -0.000020290
     27        1           0.000002919   -0.000003638   -0.000010193
     28        1          -0.000023652   -0.000015070   -0.000019364
     29        1          -0.000005767    0.000006730   -0.000015040
     30        1          -0.000001896    0.000002553   -0.000010133
     31        1           0.000001823   -0.000023410    0.000004615
     32        1          -0.000015722    0.000029103   -0.000023818
     33        1           0.000003312   -0.000000904    0.000007734
     34        1          -0.000004599   -0.000001203    0.000008627
     35        1          -0.000001175    0.000026598   -0.000005987
     36        1           0.000008166    0.000046545   -0.000024386
     37        1           0.000005884   -0.000011638    0.000000077
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000155007 RMS     0.000024744
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.155857D+03 -0.289499D-02 -0.319420D-03
      2  -0.289499D-02  0.155854D+03 -0.308713D-02
      3  -0.319420D-03 -0.308713D-02  0.127987D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.311290D+01  0.518444D-01 -0.349250D-02
      2  -0.252825D-01 -0.308328D+01  0.345241D-02
      3  -0.198170D-01 -0.817543D-02 -0.790653D+00
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.610186D+02  0.912619D+02  0.948347D-02
      2  -0.610349D+02 -0.912593D+02 -0.172457D-01
      3   0.163588D-01 -0.262966D-02  0.776223D-02
      4   0.912428D+02 -0.610630D+02  0.283748D-02
      5  -0.156880D-01  0.574907D+01  0.395627D-02
      6  -0.574420D+01 -0.372465D-01 -0.132521D-01
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   111 ND12= 1 LenFil=    3999:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.288117D+01 -0.977627D+00 -0.265056D+01 -0.124527D+01 -0.295616D+01
      2  -0.977627D+00 -0.495302D+01  0.115560D+01 -0.295616D+01  0.752763D+01
      3  -0.265056D+01  0.115560D+01  0.805855D+00  0.382152D+00 -0.397266D+01
                 6             7             8             9            10 
      1   0.382152D+00 -0.190827D+01  0.718405D+00  0.100560D+01 -0.142295D+01
      2  -0.397266D+01  0.718405D+00 -0.262624D+01  0.971642D+00  0.390763D+01
      3   0.735753D+00  0.100560D+01  0.971642D+00  0.541567D+00  0.339049D+01
                11            12            13            14            15 
      1   0.390763D+01  0.339049D+01  0.289527D+01  0.400259D+01  0.628698D+00
      2   0.573702D+01  0.140059D+01  0.400259D+01  0.209914D+01  0.323516D+01
      3   0.140059D+01 -0.458906D+00  0.628698D+00  0.323516D+01  0.993424D+00
                16            17            18            19            20 
      1   0.252592D+01  0.767480D+00 -0.555004D+00  0.865983D+00 -0.226965D+01
      2   0.767480D+00  0.201527D+01  0.128875D+01 -0.226965D+01 -0.266281D+01
      3  -0.555004D+00  0.128875D+01 -0.541687D+00 -0.190625D+01 -0.879769D+00
                21            22            23            24            25 
      1  -0.190625D+01 -0.376960D+01 -0.561697D+01 -0.229491D+01 -0.239144D+01
      2  -0.879769D+00 -0.561697D+01 -0.678567D+01 -0.477615D+01 -0.144887D+01
      3  -0.107372D+01 -0.229491D+01 -0.477615D+01 -0.209654D+01 -0.153401D+01
                26            27            28            29            30 
      1  -0.144887D+01 -0.153401D+01 -0.132294D+01 -0.196976D+01 -0.310896D-02
      2  -0.280173D+01 -0.186782D+01 -0.196976D+01  0.129501D+01 -0.195974D+01
      3  -0.186782D+01  0.170236D+01 -0.310896D-02 -0.195974D+01 -0.448677D-02
                31            32            33            34            35 
      1  -0.199597D+01  0.132603D+01  0.198077D+01  0.217813D-01 -0.102048D-01
      2   0.132603D+01  0.199864D+01 -0.126534D-01 -0.102048D-01  0.226998D-01
      3   0.198077D+01 -0.126534D-01  0.315042D-02 -0.117351D-02 -0.343617D-02
                36            37            38            39            40 
      1  -0.117351D-02 -0.190065D+01  0.781423D+00  0.120178D+01  0.533037D+00
      2  -0.343617D-02  0.781423D+00 -0.486064D+00  0.599892D+00  0.281668D+01
      3   0.212019D-02  0.120178D+01  0.599892D+00  0.186625D+00 -0.816854D+00
                41            42            43            44            45 
      1   0.281668D+01 -0.816854D+00  0.142500D+01 -0.881204D+00  0.700559D+00
      2  -0.109750D+02  0.548360D+01 -0.881204D+00  0.374970D+01 -0.230947D+01
      3   0.548360D+01 -0.234004D+01  0.700559D+00 -0.230947D+01 -0.170416D+01
                46            47            48            49            50 
      1   0.498445D+01  0.541251D+01  0.431700D+01  0.269827D+01  0.339066D+01
      2   0.541251D+01  0.525776D+01  0.261159D+01  0.339066D+01  0.465748D+00
      3   0.431700D+01  0.261159D+01  0.193329D+01  0.119958D+01  0.236126D+01
                51            52            53            54            55 
      1   0.119958D+01  0.241890D+01  0.145073D+01  0.165540D+01 -0.474311D+00
      2   0.236126D+01  0.145073D+01  0.277488D+01  0.176908D+01 -0.311001D+01
      3   0.134174D+01  0.165540D+01  0.176908D+01 -0.169667D+01 -0.297401D+01
                56            57            58            59            60 
      1  -0.311001D+01 -0.297401D+01 -0.470527D+01 -0.515182D+01 -0.134551D+01
      2  -0.391937D+01 -0.570223D+00 -0.515182D+01 -0.221603D+00 -0.364686D+01
      3  -0.570223D+00 -0.104016D+01 -0.134551D+01 -0.364686D+01  0.325589D+00
                61            62            63            64            65 
      1  -0.182321D+01 -0.672433D+00 -0.134890D+01 -0.865773D+01  0.145475D+01
      2  -0.672433D+00 -0.271097D+01  0.380702D+00  0.145475D+01  0.217120D+01
      3  -0.134890D+01  0.380702D+00  0.541772D+00  0.415187D+01 -0.186917D+00
                66            67            68            69            70 
      1   0.415187D+01  0.347136D+01  0.216582D+01 -0.961735D+00  0.280243D+01
      2  -0.186917D+00  0.216582D+01 -0.222745D+01  0.247166D+01 -0.604560D+00
      3  -0.628697D+00 -0.961735D+00  0.247166D+01 -0.892230D+00 -0.837683D+00
                71            72            73            74            75 
      1  -0.604560D+00 -0.837683D+00  0.113208D+02 -0.110010D+01 -0.544107D+01
      2   0.173351D+01 -0.112322D+01 -0.110010D+01 -0.126615D+01  0.253517D+00
      3  -0.112322D+01 -0.542697D+00 -0.544107D+01  0.253517D+00  0.235770D+01
                76            77            78            79            80 
      1   0.219099D+01 -0.109467D+01 -0.115508D+01 -0.394558D+01  0.550995D+00
      2  -0.109467D+01  0.150831D+01 -0.124429D+01  0.550995D+00 -0.123569D+01
      3  -0.115508D+01 -0.124429D+01  0.109001D+00  0.238828D+01 -0.394592D+00
                81            82            83            84            85 
      1   0.238828D+01 -0.109295D+01  0.223202D+01 -0.268470D+01  0.439276D+00
      2  -0.394592D+00  0.223202D+01 -0.713552D+01  0.274057D+01 -0.437298D+01
      3   0.170409D+01 -0.268470D+01  0.274057D+01 -0.127897D+01  0.133037D+01
                86            87            88            89            90 
      1  -0.437298D+01  0.133037D+01 -0.144953D+01  0.900706D+00 -0.856027D+00
      2   0.642110D+01 -0.400346D+01  0.900706D+00 -0.376388D+01  0.226028D+01
      3  -0.400346D+01  0.197832D+01 -0.856027D+00  0.226028D+01  0.170351D+01
                91            92            93            94            95 
      1  -0.128618D+01  0.108026D+01  0.239707D+01  0.889566D-01  0.521133D+01
      2   0.108026D+01  0.347367D+01 -0.593287D-01  0.521133D+01 -0.633128D+01
      3   0.239707D+01 -0.593287D-01  0.109588D+01 -0.829002D+00  0.423375D+01
                96            97            98            99           100 
      1  -0.829002D+00  0.147562D+01 -0.158894D+00  0.139496D+01  0.790417D+01
      2   0.423375D+01 -0.158894D+00  0.305917D+01 -0.158458D+00 -0.393824D+01
      3  -0.940783D-01  0.139496D+01 -0.158458D+00 -0.546481D+00 -0.430796D+01
               101           102           103           104           105 
      1  -0.393824D+01 -0.430796D+01 -0.207666D+01 -0.220189D+01 -0.202305D+00
      2  -0.144424D+01  0.574388D+00 -0.220189D+01  0.732413D+00 -0.231141D+01
      3   0.574388D+00  0.234573D+00 -0.202305D+00 -0.231141D+01 -0.106647D+01
               106           107           108           109           110 
      1  -0.307011D+01 -0.517704D-01  0.344198D+00 -0.836502D+01  0.359035D+01
      2  -0.517704D-01 -0.145914D+01 -0.136073D+01  0.359035D+01  0.525506D+00
      3   0.344198D+00 -0.136073D+01  0.543785D+00  0.450727D+01 -0.109543D+01
               111           112           113           114           115 
      1   0.450727D+01  0.658061D+01 -0.919395D+00 -0.251215D+01  0.391736D+01
      2  -0.109543D+01 -0.919395D+00  0.704198D+00  0.217727D+01 -0.560160D+00
      3  -0.212535D+01 -0.251215D+01  0.217727D+01  0.100333D+01 -0.235589D+01
               116           117           118           119           120 
      1  -0.560160D+00 -0.235589D+01  0.119602D+02  0.190691D+00 -0.325817D+01
      2   0.122984D+01  0.547132D+00  0.190691D+00  0.971372D+00 -0.356807D-02
      3   0.547132D+00 -0.170450D+01 -0.325817D+01 -0.356807D-02  0.210849D+01
               121           122           123           124           125 
      1  -0.246511D+01  0.115240D+01  0.924392D+00 -0.330677D+01 -0.269314D-01
      2   0.115240D+01  0.164643D+00 -0.747263D+00 -0.269314D-01 -0.463624D+00
      3   0.924392D+00 -0.747263D+00 -0.257931D+00  0.262651D+01  0.206298D+00
               126           127           128           129           130 
      1   0.262651D+01  0.227691D+00  0.644186D+00 -0.926034D+00  0.112123D+01
      2   0.206298D+00  0.644186D+00 -0.695794D+00  0.233047D+00  0.507984D+00
      3  -0.154846D+01 -0.926034D+00  0.233047D+00 -0.329667D+00 -0.196056D+00
               131           132           133           134           135 
      1   0.507984D+00 -0.196056D+00 -0.135248D+01 -0.387325D+00  0.450890D+00
      2   0.473977D+01 -0.224603D+01 -0.387325D+00 -0.183127D+01  0.172676D+01
      3  -0.224603D+01  0.231434D+01  0.450890D+00  0.172676D+01 -0.222378D+01
               136           137           138           139           140 
      1   0.617373D+01  0.321538D+01  0.188205D+01  0.521430D+01  0.444406D+01
      2   0.321538D+01  0.268362D+01  0.867254D+00  0.444406D+01  0.448321D+01
      3   0.188205D+01  0.867254D+00  0.151482D+01  0.179535D+01  0.212135D+01
               141           142           143           144           145 
      1   0.179535D+01  0.227843D+01  0.136472D+01  0.220855D+01  0.221642D+01
      2   0.212135D+01  0.136472D+01  0.148955D+01  0.143434D+01 -0.919657D+00
      3   0.148762D+01  0.220855D+01  0.143434D+01  0.154779D+01  0.139961D+01
               146           147           148           149           150 
      1  -0.919657D+00  0.139961D+01 -0.203532D+01  0.166163D+01 -0.847603D+00
      2   0.100198D+01 -0.417278D+00  0.166163D+01 -0.290022D+01  0.177460D+01
      3  -0.417278D+00  0.115092D+01 -0.847603D+00  0.177460D+01 -0.203547D+01
               151           152           153           154           155 
      1   0.190740D+01 -0.331120D+00  0.140955D+01 -0.238415D+01  0.194503D+01
      2  -0.331120D+00  0.128098D+01 -0.109559D+01  0.194503D+01 -0.209879D+01
      3   0.140955D+01 -0.109559D+01  0.222222D+01 -0.977812D+00  0.394762D+00
               156           157           158           159           160 
      1  -0.977812D+00  0.311476D+01 -0.448834D+01  0.132249D+01 -0.119836D+01
      2   0.394762D+00 -0.448834D+01  0.924015D+01 -0.303056D+01  0.124481D+01
      3  -0.831592D+00  0.132249D+01 -0.303056D+01  0.195521D+01 -0.149275D+01
               161           162           163           164           165 
      1   0.124481D+01 -0.149275D+01 -0.375082D+01 -0.773298D+00 -0.190128D+01
      2  -0.257298D+01  0.217159D+01 -0.773298D+00 -0.109861D+01 -0.365932D+00
      3   0.217159D+01 -0.154946D+01 -0.190128D+01 -0.365932D+00 -0.184201D+01
               166           167           168           169           170 
      1  -0.205038D+01 -0.128659D+01 -0.795152D+00 -0.204964D+01 -0.131739D-01
      2  -0.128659D+01 -0.127393D+01 -0.127550D+01 -0.131739D-01 -0.114031D+01
      3  -0.795152D+00 -0.127550D+01 -0.144247D+01 -0.172290D+01 -0.473930D+00
               171           172           173           174           175 
      1  -0.172290D+01 -0.105463D+02  0.375519D+01  0.321291D+01  0.122825D+01
      2  -0.473930D+00  0.375519D+01 -0.228027D+01 -0.102481D+01 -0.142949D+01
      3  -0.222813D+01  0.321291D+01 -0.102481D+01 -0.204455D+01 -0.960810D-01
               176           177           178           179           180 
      1  -0.142949D+01 -0.960810D-01  0.286912D+01 -0.102286D+01 -0.234622D+01
      2   0.158633D+01  0.787435D+00 -0.102286D+01  0.898031D+00  0.119460D+01
      3   0.787435D+00  0.567799D+00 -0.234622D+01  0.119460D+01  0.154537D+01
               181           182           183           184           185 
      1   0.821066D+00  0.107731D+01  0.113194D+01  0.107076D+01  0.542186D+00
      2   0.107731D+01  0.184169D+01  0.693711D+00  0.542186D+00  0.419552D+01
      3   0.113194D+01  0.693711D+00  0.118661D+01  0.262568D+00  0.204219D+01
               186           187           188           189           190 
      1   0.262568D+00  0.115432D+01 -0.108163D+00  0.243306D+00 -0.306961D+01
      2   0.204219D+01 -0.108163D+00  0.204242D+01  0.176883D+01 -0.381683D+01
      3   0.201652D+01  0.243306D+00  0.176883D+01  0.222462D+01 -0.177477D+01
               191           192           193           194           195 
      1  -0.381683D+01 -0.177477D+01 -0.233222D+01 -0.318105D+01 -0.854192D+00
      2  -0.538890D+01 -0.178192D+01 -0.318105D+01 -0.771618D+01 -0.223246D+01
      3  -0.178192D+01 -0.127903D+01 -0.854192D+00 -0.223246D+01 -0.169766D+01
               196           197           198           199           200 
      1  -0.115166D+01 -0.121823D+01 -0.113496D+01  0.345355D+01 -0.161363D+01
      2  -0.121823D+01 -0.261937D+01 -0.237787D+01 -0.161363D+01  0.186164D+01
      3  -0.113496D+01 -0.237787D+01 -0.154895D+01 -0.193293D+01  0.777413D+00
               201           202           203           204           205 
      1  -0.193293D+01 -0.812992D+00  0.841603D+00  0.347531D+00 -0.137853D+01
      2   0.777413D+00  0.841603D+00 -0.171742D+01 -0.124075D+01  0.400137D+00
      3   0.216900D+01  0.347531D+00 -0.124075D+01 -0.874042D+00  0.127027D+01
               206           207           208           209           210 
      1   0.400137D+00  0.127027D+01  0.321387D+00 -0.160175D+01  0.908106D+00
      2  -0.181252D+01 -0.125545D+01 -0.160175D+01  0.364605D+01 -0.123209D+01
      3  -0.125545D+01 -0.222693D+01  0.908106D+00 -0.123209D+01  0.529916D+00
               211           212           213           214           215 
      1  -0.107658D+01  0.103555D+01 -0.304957D+00  0.504586D+00 -0.340475D+00
      2   0.103555D+01 -0.114478D+02  0.309391D+01 -0.340475D+00  0.326261D+01
      3  -0.304957D+00  0.309391D+01 -0.205426D+01  0.137379D+00 -0.262840D+01
               216           217           218           219           220 
      1   0.137379D+00 -0.462434D+01 -0.887439D+00  0.222979D+01  0.240488D+00
      2  -0.262840D+01 -0.887439D+00 -0.126390D+01  0.368704D+00 -0.627798D+00
      3   0.154528D+01  0.222979D+01  0.368704D+00 -0.233979D+01 -0.610743D-01
               221           222           223           224           225 
      1  -0.627798D+00 -0.610743D-01  0.172726D+01  0.438221D+00 -0.165418D+01
      2  -0.562766D+00  0.945421D+00  0.438221D+00  0.146969D+01 -0.673082D+00
      3   0.945421D+00  0.208980D-01 -0.165418D+01 -0.673082D+00  0.222527D+01
               226           227           228           229           230 
      1   0.528342D+01 -0.179969D+01  0.830107D+00 -0.194321D+01  0.101478D+01
      2  -0.179969D+01  0.341353D+01 -0.127785D+01  0.101478D+01 -0.469462D+00
      3   0.830107D+00 -0.127785D+01  0.134948D+01 -0.172536D+00 -0.554123D+00
               231           232           233           234           235 
      1  -0.172536D+00  0.248915D-01  0.119283D+00  0.584706D+00  0.646575D+00
      2  -0.554123D+00  0.119283D+00 -0.194559D+01  0.469271D+00 -0.395457D+00
      3  -0.114555D+00  0.584706D+00  0.469271D+00  0.243383D+00  0.696801D+00
               236           237           238           239           240 
      1  -0.395457D+00  0.696801D+00 -0.488323D+00 -0.454122D+00  0.229998D+00
      2  -0.975016D+00  0.303677D+00 -0.454122D+00  0.132901D+01 -0.172605D+00
      3   0.303677D+00 -0.202651D+00  0.229998D+00 -0.172605D+00  0.706682D+00
               241           242           243           244           245 
      1   0.986944D+00 -0.849596D-01  0.101622D+01 -0.673828D+01 -0.631655D+00
      2  -0.849596D-01  0.208170D+01 -0.121600D+01 -0.631655D+00 -0.222030D+01
      3   0.101622D+01 -0.121600D+01  0.738282D+01 -0.113597D+01 -0.572741D+00
               246           247           248           249           250 
      1  -0.113597D+01  0.147081D+00  0.559176D-01  0.531303D+00  0.352802D+00
      2  -0.572741D+00  0.559176D-01  0.957065D+00  0.866872D+00  0.784929D+00
      3  -0.128903D+01  0.531303D+00  0.866872D+00  0.413961D+00 -0.358368D+00
               251           252           253           254           255 
      1   0.784929D+00 -0.358368D+00 -0.600814D+00  0.640845D+00 -0.379561D+00
      2   0.157616D+01  0.659037D+00  0.640845D+00  0.121982D+01  0.532039D+00
      3   0.659037D+00 -0.237955D+00 -0.379561D+00  0.532039D+00  0.455995D+00
               256           257           258           259           260 
      1   0.353690D+00  0.778275D+00  0.459657D+00 -0.120894D+01 -0.446919D+00
      2   0.778275D+00  0.290271D+00 -0.142547D+00 -0.446919D+00 -0.186081D+01
      3   0.459657D+00 -0.142547D+00  0.577081D+00 -0.140752D+01 -0.732437D+00
               261           262           263           264           265 
      1  -0.140752D+01 -0.419815D+01 -0.184493D+01  0.420155D+00 -0.385446D+01
      2  -0.732437D+00 -0.184493D+01 -0.222869D+01  0.410077D+00 -0.905760D+00
      3  -0.738158D+01  0.420155D+00  0.410077D+00 -0.773138D+00  0.151565D+01
               266           267           268           269           270 
      1  -0.905760D+00  0.151565D+01 -0.155863D+01  0.795148D+00  0.113684D+00
      2  -0.248702D+01 -0.142154D+00  0.795148D+00 -0.367065D+00 -0.740752D+00
      3  -0.142154D+00 -0.111310D+01  0.113684D+00 -0.740752D+00  0.242131D+00
               271           272           273           274           275 
      1   0.120912D+01 -0.933270D+00 -0.187443D+00 -0.434021D+00 -0.500972D+00
      2  -0.933270D+00 -0.320578D+00  0.279320D+00 -0.500972D+00  0.301245D+00
      3  -0.187443D+00  0.279320D+00  0.716763D+00  0.205496D+00  0.710161D+00
               276           277           278           279           280 
      1   0.205496D+00  0.188103D+01 -0.430319D+00 -0.155892D+01  0.200920D+01
      2   0.710161D+00 -0.430319D+00  0.118687D+01 -0.268805D+00  0.492057D+00
      3  -0.175902D+00 -0.155892D+01 -0.268805D+00  0.738237D+01  0.384247D+00
               281           282           283           284           285 
      1   0.492057D+00  0.384247D+00  0.206115D+01  0.160956D+01 -0.303306D+00
      2   0.342430D+01 -0.140660D+01  0.160956D+01  0.513560D+01 -0.650970D+00
      3  -0.140660D+01  0.100240D+01 -0.303306D+00 -0.650970D+00  0.907078D+00
               286           287           288           289           290 
      1   0.592513D+00 -0.921429D+00  0.749533D+00 -0.418306D+00  0.239722D+00
      2  -0.921429D+00  0.134255D+01 -0.187161D-01  0.239722D+00  0.675746D+00
      3   0.749533D+00 -0.187161D-01 -0.238235D+00 -0.632311D+00 -0.315422D+00
               291           292           293           294           295 
      1  -0.632311D+00  0.142629D-02  0.114102D+01 -0.386551D+00 -0.131129D+01
      2  -0.315422D+00  0.114102D+01 -0.857537D+00  0.106535D+00  0.504954D+00
      3   0.275861D+00 -0.386551D+00  0.106535D+00 -0.679110D+00  0.715347D-01
               296           297           298           299           300 
      1   0.504954D+00  0.715347D-01 -0.120780D+01 -0.156112D+00 -0.835737D+00
      2  -0.176100D+01  0.158835D+01 -0.156112D+00 -0.106686D+01 -0.791539D+00
      3   0.158835D+01 -0.738117D+01 -0.835737D+00 -0.791539D+00 -0.578252D+00
               301           302           303           304           305 
      1   0.199096D+01  0.110353D-01  0.315444D+00 -0.135251D+01 -0.915276D+00
      2   0.110353D-01  0.673991D+01  0.111456D+01 -0.915276D+00 -0.566614D+00
      3   0.315444D+00  0.111456D+01  0.122579D+01 -0.698533D+00  0.270188D+00
               306           307           308           309           310 
      1  -0.698533D+00  0.363007D-01 -0.626029D+00  0.274189D+00 -0.103268D+01
      2   0.270188D+00 -0.626029D+00 -0.604989D+00 -0.473288D+00 -0.944739D+00
      3   0.242124D+00  0.274189D+00 -0.473288D+00 -0.512673D+00 -0.547465D+00
               311           312           313           314           315 
      1  -0.944739D+00 -0.547465D+00  0.173307D+01  0.515085D+00  0.544268D+00
      2   0.323526D+00  0.245697D+00  0.515085D+00  0.133407D+01  0.148230D+01
      3   0.245697D+00 -0.535398D+00  0.544268D+00  0.148230D+01  0.738234D+01
               316           317           318           319           320 
      1   0.125405D+01 -0.142008D+01  0.346707D+00 -0.377505D+01  0.180900D+01
      2  -0.142008D+01  0.226729D+01  0.326277D+00  0.180900D+01 -0.453245D+01
      3   0.346707D+00  0.326277D+00  0.287078D+00  0.143197D+01 -0.619898D+00
               321           322           323           324           325 
      1   0.143197D+01  0.194199D+01  0.138058D+00 -0.389462D+00 -0.150798D+01
      2  -0.619898D+00  0.138058D+00 -0.254756D-01 -0.641100D+00  0.125863D+00
      3  -0.132278D+01 -0.389462D+00 -0.641100D+00 -0.241951D+00  0.227581D+00
               326           327           328           329           330 
      1   0.125863D+00  0.227581D+00  0.651260D+00  0.614633D+00 -0.180894D+00
      2   0.642715D+00 -0.107994D+00  0.614633D+00 -0.437688D+00 -0.749063D+00
      3  -0.107994D+00 -0.728564D+00 -0.180894D+00 -0.749063D+00  0.108753D+00
               331           332           333 
      1  -0.208443D+01 -0.583852D-01  0.133710D+01
      2  -0.583852D-01 -0.985439D+00 -0.849308D+00
      3   0.133710D+01 -0.849308D+00 -0.738213D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.112727D+02 -0.620247D+01  0.540673D+01 -0.526887D+01  0.441558D+00
      2   0.331468D+00  0.265340D+01  0.335054D+01  0.168176D+01  0.200896D+01
      3  -0.917966D+01  0.211403D+01  0.953983D+01  0.608320D+01  0.711841D+01
                 6             7             8             9            10 
      1  -0.915580D+01 -0.378578D+00 -0.252314D+01  0.135011D+00  0.471322D+01
      2   0.102707D+01  0.548581D+00 -0.352308D+00 -0.521715D+00 -0.299663D+01
      3   0.155141D+01  0.102287D+02  0.205827D+01 -0.329125D+01  0.969994D+01
                11            12            13            14            15 
      1  -0.851362D+01 -0.682187D+01 -0.732091D+01  0.621372D+01 -0.675723D+01
      2   0.199982D+01  0.575161D+01  0.253212D+01  0.100216D+01  0.373318D+00
      3  -0.484559D+01 -0.821819D+01 -0.853038D+00 -0.762708D+01  0.509153D+01
                16            17            18            19            20 
      1  -0.326125D+00 -0.223624D+01 -0.338023D+00  0.414776D+00 -0.117812D+01
      2   0.837097D+00  0.104736D+01 -0.429378D+00  0.192374D+02  0.135933D+02
      3  -0.866582D+01  0.580258D+01  0.329576D+01 -0.213822D+02 -0.177632D+02
                21            22            23            24            25 
      1   0.318052D+01 -0.103499D+01 -0.149894D+02  0.214941D+01  0.111579D+02
      2   0.888752D+01  0.424494D+01 -0.653123D+00 -0.307613D+01 -0.999841D+01
      3  -0.864054D+01  0.708243D+00  0.137604D+02  0.208043D+01 -0.298165D+01
                26            27            28            29            30 
      1   0.185750D+02  0.182676D+02  0.219238D+01  0.344844D+01  0.725362D-01
      2  -0.118242D+02 -0.165710D+02  0.310111D+01 -0.218090D+01 -0.191657D+01
      3   0.254230D+01 -0.686430D+00 -0.113968D+00  0.865421D+00 -0.334401D-01
                31            32            33            34            35 
      1   0.314901D+01 -0.222944D+01  0.192887D+01  0.148850D+00 -0.336014D-01
      2  -0.216580D+01 -0.332224D+01  0.102891D+00  0.312335D+00 -0.242816D-01
      3  -0.962686D+00 -0.161300D-01  0.157116D+00  0.749588D-01  0.880123D-01
                36            37            38            39            40 
      1  -0.872205D-01  0.480643D+01 -0.262375D+01  0.159937D+01  0.102256D+01
      2  -0.210378D+00  0.886848D+01 -0.183711D+02  0.946579D+01 -0.980961D+01
      3  -0.109664D+00  0.102177D+02 -0.276972D+02  0.878070D+01 -0.926486D+01
                41            42            43            44            45 
      1   0.156526D+02  0.282855D+01 -0.478272D+01  0.255091D+02 -0.232546D+02
      2   0.278161D+01 -0.176325D+01 -0.313964D+01  0.540582D+01 -0.826776D+01
      3  -0.244917D+01 -0.140005D+01  0.374617D+01  0.119422D+01  0.715904D+00
                46            47            48            49            50 
      1   0.676099D+00 -0.175230D+01  0.436716D+01 -0.110188D+02 -0.210177D+02
      2   0.146346D+02  0.281583D+01 -0.114632D+01  0.167763D+01 -0.266731D+01
      3  -0.152898D+02 -0.554217D+01 -0.319176D+01  0.129719D+02  0.229408D+02
                51            52            53            54            55 
      1  -0.791758D+01  0.125633D+02  0.131383D+02  0.187885D+02  0.729523D+00
      2  -0.446901D+01 -0.155938D+02 -0.119180D+02 -0.159648D+02 -0.818663D+01
      3   0.830877D+01 -0.286700D+01  0.262796D+01  0.687506D+00  0.658027D+01
                56            57            58            59            60 
      1  -0.384803D+01 -0.391629D+00 -0.347885D+01  0.265957D+01 -0.669527D+01
      2   0.639748D+01  0.580123D+01  0.766736D+01 -0.234590D+01  0.682577D+01
      3   0.302351D+01 -0.610944D+01  0.701740D+01 -0.864427D+01  0.747380D+01
                61            62            63            64            65 
      1  -0.120419D+01 -0.102344D+01  0.382313D+00 -0.117047D+01 -0.226842D+01
      2   0.202800D+01  0.481217D+00  0.394432D+00 -0.187547D+01  0.328716D+01
      3  -0.689429D+01  0.781857D+01 -0.329891D+01 -0.574060D+01 -0.805668D+01
                66            67            68            69            70 
      1  -0.184345D+01 -0.335324D+01 -0.253706D+01 -0.289202D+01  0.805881D-01
      2   0.960358D+01  0.409454D+01  0.123039D+02 -0.458087D+01  0.247743D+01
      3  -0.300093D+00 -0.406190D+01  0.784028D+01 -0.964261D+01 -0.709090D+00
                71            72            73            74            75 
      1  -0.594532D+00  0.538277D+00 -0.435219D+01  0.103466D+02  0.319763D+01
      2   0.624309D+00 -0.790924D-01 -0.163849D+02 -0.107651D+01 -0.213412D+01
      3  -0.103962D+02  0.331163D+01 -0.236395D+01  0.102634D+02  0.244939D+01
                76            77            78            79            80 
      1   0.183809D+02 -0.438500D+01 -0.882866D+01 -0.230959D+01  0.216371D+01
      2   0.353202D+01 -0.537501D+01 -0.319680D+01 -0.265028D+02  0.158354D+01
      3   0.286879D+02 -0.515265D+01 -0.855521D+01 -0.675829D+00 -0.393249D+01
                81            82            83            84            85 
      1   0.526956D+01  0.215205D+01  0.396955D+01 -0.625743D+01 -0.406165D+01
      2   0.241650D+02  0.105069D+02 -0.106167D+02  0.332369D+01 -0.602591D+01
      3  -0.645625D+00  0.123868D+02 -0.201139D+02  0.614228D+01 -0.169794D+01
                86            87            88            89            90 
      1   0.212510D+02 -0.340466D+01 -0.982538D+01  0.221311D+02 -0.234836D+02
      2  -0.722048D+01  0.635504D+01 -0.651921D+01  0.918885D+01 -0.753456D+01
      3  -0.199700D+02  0.642644D+01  0.366434D+01  0.132567D+01 -0.702457D+00
                91            92            93            94            95 
      1  -0.801576D+01 -0.408066D+01 -0.991448D+00 -0.421002D+01  0.854385D+00
      2  -0.995737D+01 -0.823126D+00  0.339171D+01 -0.210794D+01  0.157958D+01
      3  -0.805452D+00  0.687548D+01  0.851596D+01  0.108965D+02  0.294045D+01
                96            97            98            99           100 
      1  -0.912792D+01  0.128105D+01 -0.177361D+01 -0.199686D+00 -0.150285D+01
      2  -0.547598D+01  0.125793D+01 -0.586080D+00  0.523183D+00 -0.202078D+01
      3   0.455394D+01  0.934528D+01  0.461220D+01  0.332355D+01 -0.512823D+00
               101           102           103           104           105 
      1   0.171506D+00  0.464859D+01 -0.113190D+01  0.891928D+01 -0.288229D+01
      2   0.296645D+01  0.961028D+01  0.263624D+01  0.102081D+02  0.181674D+01
      3  -0.110999D+02 -0.339991D+01 -0.712597D+01 -0.157212D+01 -0.902297D+01
               106           107           108           109           110 
      1   0.515677D+00 -0.105536D+01 -0.544535D+00  0.744270D+01  0.778989D+01
      2   0.203251D+01 -0.122079D+01  0.116637D+00 -0.200715D+02  0.263409D+01
      3  -0.330227D+01 -0.989289D+01 -0.331623D+01  0.166816D+02  0.552006D+01
               111           112           113           114           115 
      1  -0.624656D+01  0.134363D+02 -0.766251D+01 -0.499655D+01 -0.689350D+01
      2   0.172808D+01 -0.474054D+01 -0.347918D+01  0.606749D+01 -0.243757D+02
      3  -0.560861D+01  0.240528D+02 -0.901415D+01 -0.698501D+01 -0.948844D+00
               116           117           118           119           120 
      1   0.435056D+01  0.450790D+01  0.116452D+01 -0.166756D+01 -0.184272D+01
      2   0.753084D+01  0.243734D+02  0.294830D+01  0.101558D+01  0.557798D+01
      3  -0.390938D+01  0.716077D+00  0.691811D+01 -0.553555D+01 -0.293190D+01
               121           122           123           124           125 
      1  -0.182092D+00  0.107663D+01 -0.337654D+00 -0.129323D+01  0.139038D+01
      2  -0.357769D+01 -0.187000D+01  0.641159D+00  0.261064D+01 -0.327859D+00
      3  -0.205888D+01  0.178122D+01  0.242774D+01 -0.680966D+00  0.301192D+01
               126           127           128           129           130 
      1   0.767820D+00  0.756800D+00  0.106457D+01  0.739034D+00 -0.163265D+00
      2  -0.260842D+01 -0.440369D+01  0.146183D+01 -0.228000D+01  0.859010D+00
      3   0.101102D+01 -0.336020D+01  0.339742D+01 -0.195662D+01  0.262075D+01
               131           132           133           134           135 
      1  -0.312351D+01 -0.188217D+01 -0.119505D+00  0.120502D+01  0.878946D+00
      2  -0.689179D+01  0.765963D+01 -0.196775D+01  0.540830D+01 -0.643666D+01
      3  -0.151475D+02  0.722176D+01 -0.476995D+00  0.580989D+01 -0.578528D+01
               136           137           138           139           140 
      1   0.147216D+00  0.103391D+01 -0.160651D+01  0.265439D+01  0.229109D+01
      2   0.205050D+00  0.334923D+00  0.483396D+01 -0.421395D+01  0.304953D+00
      3  -0.135609D+01 -0.520589D+01 -0.851095D+00 -0.173319D+01 -0.736383D+01
               141           142           143           144           145 
      1  -0.107981D+01 -0.992713D+00  0.377076D+00 -0.973764D+00 -0.274510D+01
      2   0.280967D+01  0.159239D+01  0.261825D+01  0.253356D+01  0.317499D+01
      3  -0.371352D+01  0.128681D+01 -0.280675D+01 -0.101612D+01  0.480218D+01
               146           147           148           149           150 
      1   0.129707D+01 -0.128351D+01  0.261564D+01 -0.598979D+01  0.300227D+01
      2   0.206715D+00  0.261895D+01  0.490669D+00  0.433768D+01 -0.710531D+01
      3  -0.456667D+01  0.284496D+01 -0.530987D+01  0.136781D+02 -0.692493D+01
               151           152           153           154           155 
      1  -0.155506D+01  0.416262D+01 -0.321660D+01  0.138204D+01 -0.570364D+00
      2   0.996655D+00 -0.373057D+01  0.563852D+01  0.113864D+01 -0.690089D+00
      3   0.314920D+01 -0.491487D+01  0.578206D+01 -0.227325D+00 -0.205383D+01
               156           157           158           159           160 
      1   0.228388D+01  0.265884D+01 -0.344239D+01 -0.319186D+01  0.116614D+01
      2   0.271743D+01  0.288823D+01  0.249120D+00 -0.348845D+01  0.273129D-01
      3  -0.638601D+00  0.142502D+01  0.890718D+01 -0.375090D+01 -0.226925D+01
               161           162           163           164           165 
      1  -0.119677D+01  0.187933D+01  0.544559D+01  0.184224D+01  0.413084D+01
      2  -0.278713D+01  0.197332D+01  0.110796D+01 -0.441504D+00  0.385165D+01
      3  -0.209812D+01  0.101215D+01 -0.958936D+01 -0.624704D+01 -0.527788D+01
               166           167           168           169           170 
      1   0.295901D+01  0.551112D+01  0.424162D+01  0.370310D+01  0.418031D+01
      2  -0.119271D+01  0.248372D+01  0.426441D+01  0.999030D+00  0.159705D+01
      3  -0.699120D+01 -0.889162D+01 -0.530460D+01 -0.479966D+01 -0.332523D+01
               171           172           173           174           175 
      1   0.514812D+01 -0.460911D+00 -0.244617D+01  0.332845D+01  0.690831D+00
      2   0.399335D+01  0.360837D+01 -0.233863D+01  0.393075D+01  0.134306D+01
      3  -0.579474D+01 -0.886788D+01 -0.260738D+01  0.363835D+01  0.874587D+00
               176           177           178           179           180 
      1  -0.119695D+01 -0.198600D+01  0.256538D+01  0.462708D+00 -0.169970D+01
      2  -0.174615D+01 -0.213139D+01  0.167781D+01 -0.941317D+00 -0.210217D+01
      3   0.145842D+00  0.111587D+01  0.178507D+01  0.251848D+01 -0.101289D+01
               181           182           183           184           185 
      1  -0.200880D+01  0.134960D+01 -0.320575D+01  0.447838D+00 -0.105775D+00
      2  -0.521386D+01 -0.274220D+01 -0.411630D+01 -0.173992D+01 -0.613360D+01
      3   0.719375D+01  0.670019D+01  0.457697D+01  0.596900D+01  0.113026D+02
               186           187           188           189           190 
      1  -0.375182D+01 -0.961371D+00 -0.631488D+00 -0.328920D+01 -0.566188D+00
      2  -0.518495D+01 -0.381904D+01 -0.433321D+01 -0.561368D+01 -0.186792D+01
      3   0.593208D+01  0.268900D+01  0.519373D+01  0.578662D+01  0.635484D+01
               191           192           193           194           195 
      1   0.447293D+01 -0.225270D+01 -0.247112D+00  0.381593D+00 -0.534196D+01
      2  -0.230251D+01  0.573908D+00 -0.129271D+01 -0.613067D+00  0.104795D+01
      3   0.238063D+01  0.356959D+01  0.585888D+01  0.234348D+01  0.132631D+01
               196           197           198           199           200 
      1  -0.230243D+01 -0.202380D+01 -0.264012D+01 -0.504447D+01 -0.350010D+00
      2  -0.809081D+00  0.680258D+00  0.637486D+00  0.586216D+01 -0.217898D+01
      3   0.295015D+01 -0.914127D+00  0.101189D+01 -0.148268D+02  0.396903D+01
               201           202           203           204           205 
      1   0.773513D+01 -0.248352D+00 -0.357319D+01 -0.176563D+01  0.435835D+01
      2  -0.216017D+01 -0.822725D+00  0.185998D+01  0.664265D+00 -0.379475D+01
      3   0.723812D+01  0.321702D+01 -0.369429D+01 -0.191779D+01  0.528038D+01
               206           207           208           209           210 
      1  -0.613343D+00 -0.602882D+01  0.161673D+01  0.410474D+01  0.801479D-01
      2   0.933604D+00  0.245649D+01 -0.111635D+01  0.700966D+00  0.107517D+00
      3  -0.249093D+01 -0.578627D+01 -0.285440D+01  0.259147D+01 -0.278707D+01
               211           212           213           214           215 
      1  -0.645688D+00 -0.240049D+01 -0.580526D+01  0.861032D+00 -0.266575D+01
      2   0.157594D+01 -0.124686D+01  0.112167D+01 -0.144675D+01  0.763280D+00
      3   0.607179D+01 -0.585841D+01  0.259031D+01 -0.307373D+01  0.284342D+00
               216           217           218           219           220 
      1   0.267628D+01  0.669464D+01 -0.593900D+00 -0.809666D+01 -0.100695D+01
      2  -0.422516D+00  0.408643D+01  0.604192D+00  0.930161D+00 -0.672327D+00
      3  -0.101147D+01  0.157547D+02 -0.102388D+01 -0.742368D+01 -0.173449D+01
               221           222           223           224           225 
      1   0.419193D+01  0.129290D+01 -0.542205D+01  0.125462D+01  0.651303D+01
      2  -0.260661D+00 -0.299111D+00 -0.193909D+01  0.123296D+00 -0.461542D-01
      3   0.273966D+01  0.994805D+00 -0.584772D+01 -0.260523D+00  0.579170D+01
               226           227           228           229           230 
      1  -0.481731D+00  0.387423D+01  0.858073D+00  0.110792D+01  0.700009D+00
      2  -0.913205D+01  0.362919D+01 -0.261168D+00  0.123353D+01 -0.306248D+00
      3  -0.120651D+02  0.146517D+01 -0.202935D+01  0.200095D+01 -0.921310D+00
               231           232           233           234           235 
      1  -0.183599D+01  0.187588D+01 -0.243287D+01  0.744230D+00  0.178009D+01
      2  -0.602340D+00  0.146928D+01 -0.194055D+01 -0.287148D+00  0.298404D-01
      3  -0.428953D+00  0.192378D+01 -0.100955D+00 -0.593053D+00 -0.509239D+00
               236           237           238           239           240 
      1  -0.296020D+00 -0.430772D+00  0.128747D+01  0.815255D+00  0.303607D+01
      2   0.493842D+00 -0.123569D+01  0.145706D+00 -0.198973D+01  0.165007D+01
      3  -0.258250D+00 -0.176850D+01  0.336524D+00 -0.180853D+01 -0.139750D+00
               241           242           243           244           245 
      1   0.285050D+01  0.815145D+00  0.157622D+02 -0.175908D+01  0.263492D+01
      2  -0.152917D+01 -0.156431D+01  0.442861D+01 -0.960063D+01 -0.912337D+00
      3  -0.196533D+01 -0.202639D+01 -0.172918D+01  0.116328D+02 -0.298078D+01
               246           247           248           249           250 
      1  -0.135839D+01  0.965240D+00 -0.202011D+01 -0.989184D+00 -0.165974D+01
      2   0.509592D+00  0.243477D+01  0.968794D+00  0.111285D+01  0.296463D+01
      3   0.174711D+01 -0.247283D+01  0.131296D+01 -0.116631D+01 -0.183250D+01
               251           252           253           254           255 
      1  -0.913528D+00 -0.779754D+00 -0.136352D+01 -0.510051D+00  0.761173D+00
      2   0.172017D+01  0.550569D-02  0.307117D-01 -0.100862D+01 -0.223359D+01
      3   0.651203D+00  0.600678D+00  0.743275D+00  0.188621D+00  0.157627D+01
               256           257           258           259           260 
      1   0.107964D+01 -0.171543D+01  0.203136D+01 -0.246518D+01  0.250258D+01
      2  -0.125365D+01 -0.862137D+00 -0.199362D+01  0.173433D+00  0.116240D+01
      3   0.781152D+00  0.156753D+01 -0.805395D+00  0.102830D+01 -0.263258D+01
               261           262           263           264           265 
      1  -0.128602D+02 -0.314195D+01 -0.310175D+01  0.710203D+00 -0.382894D+01
      2   0.101050D+02  0.384401D+01  0.216748D+01  0.187493D+01  0.581851D+01
      3   0.174290D+01 -0.525159D+01 -0.590894D+01  0.709673D+00 -0.541777D+01
               266           267           268           269           270 
      1  -0.516254D+01  0.391392D+00 -0.559277D+00 -0.293051D-01 -0.617875D+00
      2   0.690435D+00 -0.419044D+00  0.380655D+01  0.531694D+00 -0.467774D+00
      3  -0.781194D+01  0.197813D+01 -0.104174D+01 -0.164841D+01 -0.617818D+00
               271           272           273           274           275 
      1  -0.181701D+01  0.107809D+01  0.357935D+00 -0.145273D-01 -0.115225D+01
      2   0.316790D+00  0.657737D-01 -0.349782D+01 -0.109042D+01 -0.159835D+01
      3  -0.150155D+01  0.236961D+00  0.764355D+00  0.834078D+00 -0.806278D+00
               276           277           278           279           280 
      1   0.778784D+00 -0.173551D+00  0.327478D+01 -0.404977D+01 -0.268161D+00
      2   0.865839D+00  0.921133D+00  0.146285D+01 -0.158461D+02  0.420455D+01
      3   0.159464D+01 -0.788449D+00  0.271435D+01 -0.172267D+01  0.624277D+01
               281           282           283           284           285 
      1  -0.577066D+01  0.689689D+00 -0.199520D+01 -0.531687D+01 -0.167673D+01
      2   0.326393D+01 -0.192193D+00  0.300549D+01  0.336825D+01 -0.957223D+00
      3   0.556904D+01 -0.187563D+01  0.604724D+01  0.670215D+01 -0.941622D+00
               286           287           288           289           290 
      1  -0.295104D-01 -0.391692D+01  0.384146D+00  0.124049D+01  0.131989D+01
      2  -0.281850D-01  0.825717D-01  0.669854D+00  0.147628D+01  0.137135D+00
      3   0.148802D+01  0.127951D+01  0.600465D+00  0.952919D+00 -0.901701D+00
               291           292           293           294           295 
      1  -0.122901D+01  0.302061D+00 -0.404738D+00  0.336618D+01 -0.898532D+00
      2  -0.896038D+00 -0.110562D+01  0.164318D+01 -0.156764D-01 -0.340397D+01
      3  -0.148770D+01 -0.303296D+00  0.135944D+01 -0.960569D+00 -0.279083D+01
               296           297           298           299           300 
      1  -0.108842D+01  0.151875D+02 -0.901067D+00 -0.363997D+01 -0.112100D+01
      2  -0.409269D+00  0.608769D+01  0.241821D+01 -0.135220D+01  0.662967D+00
      3   0.419249D+00  0.174963D+01 -0.223266D+01  0.371366D+01  0.138047D+01
               301           302           303           304           305 
      1  -0.744241D-01  0.896300D+01 -0.816034D+00 -0.138988D+01 -0.336950D+01
      2  -0.257280D+01  0.249196D+01  0.138816D+01  0.515144D+00  0.134549D+01
      3   0.419978D+01 -0.107594D+02 -0.160104D+01 -0.879013D+00  0.173514D+01
               306           307           308           309           310 
      1  -0.105185D+00  0.313929D+00  0.144532D+01  0.191773D+01  0.994130D+00
      2   0.770990D+00  0.190432D+01 -0.840466D+00 -0.168408D+01  0.712289D+00
      3  -0.607611D+00 -0.144927D+01 -0.873878D+00  0.998081D+00 -0.271751D+00
               311           312           313           314           315 
      1   0.585662D-01  0.260594D+01 -0.751668D+00 -0.543605D+00 -0.117008D+02
      2   0.133056D+01 -0.700133D+00 -0.294236D+01  0.204416D+01  0.114347D+02
      3  -0.852407D+00 -0.146091D+01  0.273800D+01 -0.674051D+00 -0.172392D+01
               316           317           318           319           320 
      1   0.107203D+01 -0.208864D+01  0.301562D+00 -0.415516D+01  0.826136D+01
      2   0.161751D+00 -0.143086D+01  0.193392D+01 -0.456881D+01  0.826243D+00
      3   0.151638D+01 -0.334268D+01  0.148642D+00 -0.285650D+01  0.113880D+02
               321           322           323           324           325 
      1   0.475430D+00  0.175798D+01 -0.963934D+00  0.365502D+00  0.213068D+01
      2  -0.502686D+00  0.289176D+01 -0.167202D+01 -0.702034D+00 -0.371988D+00
      3   0.213236D+01  0.358314D+00 -0.187366D+01  0.579495D+00  0.180298D+01
               326           327           328           329           330 
      1   0.259016D+00 -0.138696D+01 -0.309325D+00  0.182682D+00  0.988099D+00
      2  -0.112255D+01 -0.328248D+01  0.379329D+00 -0.185727D+01  0.167982D+00
      3  -0.192654D+00 -0.906887D-01  0.404720D+00  0.529656D+00  0.176458D+01
               331           332           333 
      1   0.140693D+01  0.207980D+01 -0.232704D+01
      2  -0.273127D+00 -0.270069D+01 -0.161963D+02
      3   0.175444D+01  0.221001D+01  0.173255D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.655567D+01 -0.140754D+02  0.795832D+01 -0.100014D+02  0.298047D+02
      2   0.109670D+02  0.252577D+02 -0.870345D+01  0.186419D+02 -0.435628D+02
      3  -0.441130D+01 -0.111823D+02  0.745130D+00 -0.864054D+01  0.137581D+02
      4  -0.100489D+02  0.623752D+01  0.128479D+02  0.665709D+01  0.122085D+02
      5   0.832316D+01  0.388562D+00 -0.762108D+01 -0.311072D+01 -0.310776D+01
      6   0.144874D+02 -0.918248D+01 -0.561691D+01 -0.399834D+01  0.265067D+02
                 6             7             8             9            10 
      1  -0.136768D+02  0.646307D+01 -0.875437D+01 -0.109431D+01  0.124044D+02
      2   0.256114D+02 -0.673902D+01  0.172551D+02 -0.295721D+01 -0.176483D+02
      3  -0.119346D+02  0.275951D+00 -0.850068D+01  0.405152D+01  0.524389D+01
      4   0.215086D+00  0.105272D+02 -0.222065D+01 -0.422431D+01  0.100195D+01
      5  -0.929432D+00 -0.649102D+01 -0.328639D+00  0.805580D+00 -0.983365D+00
      6  -0.657525D+01 -0.382397D+01 -0.733189D+01 -0.366800D+01 -0.222434D+02
                11            12            13            14            15 
      1   0.118857D+02 -0.215251D+00  0.967437D+01  0.109121D+01  0.881996D+01
      2  -0.265717D+02 -0.507169D+01 -0.218380D+02 -0.514857D+01 -0.195464D+02
      3   0.146860D+02  0.528694D+01  0.121636D+02  0.405736D+01  0.107265D+02
      4  -0.242265D+02 -0.191102D+02 -0.201686D+02 -0.222769D+02 -0.698600D+01
      5  -0.887208D+01 -0.516150D+01 -0.365327D+01 -0.992130D+01  0.312488D+00
      6  -0.879671D+01  0.499752D+01 -0.535971D+01 -0.176226D+02 -0.907615D+01
                16            17            18            19            20 
      1  -0.140109D+01  0.423152D+01  0.163703D+01 -0.184403D+02 -0.494307D+01
      2  -0.212496D+01 -0.119850D+02 -0.570790D+01  0.123970D+02  0.710307D+01
      3   0.352605D+01  0.775347D+01  0.407087D+01  0.604328D+01 -0.216001D+01
      4  -0.153256D+02 -0.534689D+01  0.230726D+01 -0.778973D+01  0.515081D+01
      5  -0.515007D+01 -0.589602D+00  0.214232D+01 -0.432879D+01  0.259047D+01
      6   0.290418D+01 -0.870771D+01  0.307612D+01  0.474270D+01  0.267092D+01
                21            22            23            24            25 
      1  -0.230197D+01 -0.101582D+02 -0.126404D+02 -0.109366D+02 -0.100898D+01
      2   0.281107D+00  0.150286D+02  0.120947D+02  0.129991D+02  0.198448D+01
      3   0.202086D+01 -0.487038D+01  0.545680D+00 -0.206251D+01 -0.975501D+00
      4   0.204392D+01  0.772457D+01  0.107991D+02  0.553206D+01  0.350913D+00
      5   0.393505D+01  0.160840D+01  0.901725D+01  0.204744D+01  0.302202D+01
      6   0.221787D+01  0.456885D+01  0.920146D+01  0.705117D+01 -0.143062D+00
                26            27            28            29            30 
      1  -0.564529D+01  0.358162D+01 -0.916480D+01 -0.175337D-01 -0.533652D+01
      2   0.525864D+01  0.126650D+02  0.320899D+01  0.281178D-01  0.534976D+01
      3   0.386644D+00 -0.162466D+02  0.595581D+01 -0.105841D-01 -0.132449D-01
      4   0.371340D+01 -0.754225D-01  0.108554D-01 -0.610648D+01  0.355848D+01
      5   0.521535D+00 -0.451116D+01 -0.325437D+01  0.219751D+01 -0.327864D+01
      6   0.591640D+01 -0.720662D+01  0.219462D+01  0.334086D+01 -0.207551D-01
                31            32            33            34            35 
      1   0.242575D-01  0.323154D+01  0.352692D+01 -0.771949D+01  0.517630D+01
      2  -0.474381D-01 -0.919745D+01 -0.353566D+01  0.773866D+01 -0.518066D+01
      3   0.231806D-01  0.596591D+01  0.873843D-02 -0.191772D-01  0.436227D-02
      4  -0.620730D+01 -0.149660D-01  0.536884D+01  0.520889D+01  0.770053D+01
      5   0.215136D+01  0.329695D+01  0.577233D-01  0.384928D+01 -0.547775D-02
      6   0.330268D+01 -0.217263D+01 -0.328434D+01  0.487305D-02  0.376869D+01
                36            37            38            39            40 
      1  -0.699889D-01 -0.297131D+01  0.115423D+01  0.121974D+01  0.624435D+01
      2  -0.147400D+00 -0.473246D+01 -0.360328D+00 -0.388250D+01 -0.813526D+01
      3   0.217389D+00  0.770377D+01 -0.793900D+00  0.266276D+01  0.189092D+01
      4   0.252413D-02  0.127184D+02 -0.543106D+01 -0.221937D+01 -0.825872D+01
      5  -0.375281D-01 -0.465812D+01  0.255327D+01  0.288525D+01  0.418597D+01
      6   0.277788D-01 -0.113183D+01 -0.101943D+01 -0.488484D+00  0.333998D+00
                41            42            43            44            45 
      1  -0.220800D+02  0.117626D+02  0.178888D+01  0.643112D+01  0.497775D+01
      2   0.232168D+02 -0.129176D+02 -0.765965D+00 -0.643166D+01  0.112566D+02
      3  -0.113679D+01  0.115494D+01 -0.102291D+01  0.547884D-03 -0.162344D+02
      4   0.479407D+01 -0.402525D+01  0.300962D+00 -0.144744D+01  0.326580D+01
      5   0.362555D+01 -0.328318D+00  0.330749D+01  0.575361D+00 -0.138122D+01
      6  -0.135521D+02  0.809063D+01  0.122537D+01  0.560157D+01  0.840898D+01
                46            47            48            49            50 
      1   0.661758D+01  0.116257D+02  0.111210D+02  0.464937D+01  0.161831D+02
      2  -0.818477D+01 -0.618131D+01 -0.878745D+01 -0.189563D+01 -0.212009D+02
      3   0.156719D+01 -0.544436D+01 -0.233357D+01 -0.275375D+01  0.501773D+01
      4   0.111197D+02  0.125903D+02  0.805881D+01  0.846877D+01 -0.100749D+01
      5   0.705899D+01  0.453684D+01  0.643145D+01  0.254469D+01  0.617811D+01
      6   0.922773D+01  0.387617D+01  0.236955D+01  0.463587D+01 -0.281001D+01
                51            52            53            54            55 
      1   0.117802D+01  0.381211D+01  0.236463D+01  0.125216D+02  0.501416D+01
      2  -0.293733D+01 -0.432028D+01 -0.149840D+01  0.372792D+01 -0.562332D+01
      3   0.175930D+01  0.508174D+00 -0.866222D+00 -0.162495D+02  0.609157D+00
      4   0.339394D+01  0.485626D+01  0.133380D+01  0.111134D+01 -0.152764D+02
      5   0.257712D+01  0.582986D+01  0.238711D+00 -0.657994D+01 -0.146788D+02
      6   0.453994D+01  0.880748D+00  0.312287D+01 -0.536914D+01 -0.101198D+02
                56            57            58            59            60 
      1  -0.131104D+02 -0.171143D+02 -0.166964D+02 -0.217373D+02 -0.229130D+01
      2   0.156710D+01  0.715429D+01  0.262009D+01  0.130213D+02 -0.433117D+01
      3   0.115433D+02  0.996003D+01  0.140763D+02  0.871599D+01  0.662246D+01
      4  -0.251667D+02 -0.781604D+01 -0.300190D+02 -0.995808D+01 -0.202806D+02
      5  -0.384714D+01 -0.967718D+01 -0.660111D+01 -0.234314D+02  0.440654D+01
      6  -0.514261D+01 -0.258258D+00 -0.107773D+02 -0.584961D+01 -0.453191D+01
                61            62            63            64            65 
      1  -0.104876D+02  0.500238D+00 -0.616456D+01 -0.495303D+02  0.817346D+01
      2   0.325315D+01 -0.499690D+01  0.210073D+01  0.335398D+02 -0.220852D+01
      3   0.723448D+01  0.449666D+01  0.406383D+01  0.159905D+02 -0.596494D+01
      4  -0.524072D+01 -0.157082D+02  0.128058D+01 -0.556324D+00  0.110395D+02
      5  -0.894939D+01  0.240140D+01  0.277242D+01  0.281041D+02 -0.163482D+01
      6  -0.107989D+01 -0.491275D+01  0.252592D+01  0.109877D+01 -0.479983D+01
                66            67            68            69            70 
      1   0.262293D+02  0.147105D+02  0.173697D+02 -0.841605D+01  0.184686D+02
      2  -0.142913D+02 -0.622000D+01 -0.106968D+02  0.921346D+01 -0.999282D+01
      3  -0.119379D+02 -0.849052D+01 -0.667297D+01 -0.797410D+00 -0.847579D+01
      4   0.388114D+01  0.120245D+02 -0.452990D+01  0.108517D+02  0.903606D-01
      5  -0.579016D+01 -0.723205D+01  0.118574D+02 -0.535752D+01 -0.680732D+01
      6  -0.685630D+00 -0.199725D+01  0.939501D+01 -0.844048D+01 -0.373428D+00
                71            72            73            74            75 
      1  -0.689084D+01 -0.186377D+01  0.213369D+02 -0.191219D+01 -0.109395D+02
      2   0.772466D+01 -0.220033D+01 -0.202138D+02  0.117404D+01  0.101610D+02
      3  -0.833824D+00  0.406411D+01 -0.112313D+01  0.738142D+00  0.778461D+00
      4   0.854404D+01 -0.432846D+01  0.125060D+02 -0.979322D+01 -0.663420D+01
      5  -0.386371D+01 -0.373610D+01 -0.134814D+02 -0.190248D+01  0.813691D+01
      6  -0.704267D+01  0.309804D+00  0.884300D+00  0.491745D+01  0.384946D+00
                76            77            78            79            80 
      1   0.490924D+01 -0.812825D+01 -0.468715D+01 -0.570983D+01 -0.153310D+01
      2  -0.293969D+01  0.415259D+00  0.189195D+01  0.556509D+01  0.256645D+01
      3  -0.196955D+01  0.771300D+01  0.279520D+01  0.144742D+00 -0.103335D+01
      4  -0.542018D+01  0.100785D+02 -0.370456D+01 -0.301396D+01 -0.440562D+00
      5  -0.303668D+01 -0.938013D+00  0.176092D+00  0.536192D+01  0.149993D+01
      6   0.313305D+01 -0.379606D+01  0.286469D+01  0.842118D+00  0.360531D+01
                81            82            83            84            85 
      1   0.103326D+02 -0.456327D+00  0.482142D+01  0.297770D+01  0.723373D+01
      2   0.592571D+01 -0.449799D+01 -0.103327D+02 -0.208836D+00 -0.100305D+02
      3  -0.162584D+02  0.495432D+01  0.551126D+01 -0.276886D+01  0.279675D+01
      4   0.397845D+01 -0.466083D+01  0.120000D+02 -0.102919D+02  0.508136D+01
      5   0.851679D+01  0.235317D+01 -0.897177D+00  0.443354D+01  0.122844D+01
      6  -0.286049D+00 -0.581775D+01  0.780515D+01 -0.233201D+01  0.773264D+01
                86            87            88            89            90 
      1   0.846920D+01  0.737694D+00 -0.108632D+01 -0.465214D+00  0.104703D+02
      2  -0.100931D+02 -0.410125D-01  0.242960D+00 -0.205592D+00  0.578612D+01
      3   0.162386D+01 -0.696682D+00  0.843361D+00  0.670806D+00 -0.162564D+02
      4  -0.209237D+02  0.841761D+01 -0.495942D+01  0.455800D+01 -0.390917D+01
      5   0.737838D+01 -0.250176D+01  0.503712D+01 -0.100983D+01 -0.399719D+01
      6  -0.523600D+01  0.656218D+01 -0.169729D+01  0.391463D+01  0.753448D+01
                91            92            93            94            95 
      1   0.577891D+01 -0.131628D+02 -0.118878D+02 -0.136738D+02 -0.111321D+01
      2   0.147373D+01  0.181320D+02  0.523603D+01  0.211634D+02 -0.154652D+02
      3  -0.725264D+01 -0.496923D+01  0.665181D+01 -0.748969D+01  0.165784D+02
      4  -0.917191D+01 -0.112420D+02  0.783528D+01 -0.162601D+02  0.355848D+02
      5  -0.983601D+01 -0.233996D+01 -0.104206D+02 -0.196075D+01 -0.192706D+02
      6   0.827992D+01 -0.373075D+01  0.272304D+01 -0.996252D+01  0.211085D+02
                96            97            98            99           100 
      1  -0.777553D+01 -0.852600D+01 -0.815817D+01 -0.589831D+01 -0.298562D+02
      2   0.177416D+02  0.358339D+01  0.150910D+02  0.182032D+01  0.120722D+02
      3  -0.996603D+01  0.494261D+01 -0.693281D+01  0.407800D+01  0.177840D+02
      4  -0.179969D+02  0.439447D+01 -0.117367D+02  0.202085D+01  0.340781D+02
      5  -0.200240D+01 -0.883111D+01 -0.806498D+00  0.160334D+01  0.248311D+02
      6  -0.382064D+01  0.271473D+01 -0.501967D+01 -0.341276D+01 -0.153903D+02
               101           102           103           104           105 
      1   0.203114D+02  0.213569D+02  0.159842D+02  0.937665D+01  0.576106D+01
      2  -0.161629D+02 -0.106411D+02 -0.143677D+02 -0.923848D+00 -0.110908D+02
      3  -0.414847D+01 -0.107158D+02 -0.161652D+01 -0.845280D+01  0.532971D+01
      4  -0.540444D+01 -0.152050D+02 -0.994161D+00 -0.110194D+02  0.785569D+01
      5  -0.756656D+01 -0.400523D+01 -0.132643D+01  0.804603D+01  0.353789D+01
      6  -0.414750D+01 -0.115542D+01 -0.372076D+01 -0.960062D+01 -0.102018D+02
               106           107           108           109           110 
      1   0.172835D+02  0.453086D+01  0.117643D+01 -0.119376D+01 -0.107348D+02
      2  -0.977676D+01 -0.854162D+01 -0.522175D+01  0.586166D+00  0.853839D+01
      3  -0.750676D+01  0.401076D+01  0.404532D+01  0.607598D+00  0.219641D+01
      4  -0.900277D+01  0.467440D+01  0.293522D+01 -0.238352D+02  0.138044D+00
      5  -0.533080D+01  0.316108D+01 -0.358723D+01 -0.811481D+01  0.725725D+01
      6  -0.329806D+00 -0.852854D+01  0.115390D+01  0.625249D+01  0.285415D+01
               111           112           113           114           115 
      1  -0.249121D+01 -0.128688D+02 -0.640448D+01  0.225339D+01 -0.151731D+01
      2   0.283295D+01  0.798611D+01  0.420407D+00  0.646911D+00  0.100310D+01
      3  -0.341737D+00  0.488270D+01  0.598408D+01 -0.290030D+01  0.514202D+00
      4   0.934246D+01  0.714719D+01 -0.376799D+01 -0.921914D+01  0.494013D+01
      5   0.715117D+01  0.764232D+01 -0.407626D+01 -0.197482D+01  0.424612D+01
      6  -0.214636D+01  0.762016D+00  0.197079D+01  0.383270D+01 -0.113218D+01
               116           117           118           119           120 
      1   0.132906D+01  0.684709D+01  0.832944D+02 -0.110070D+01 -0.216580D+02
      2  -0.221129D+01  0.939031D+01 -0.480116D+02  0.158068D+01  0.145323D+02
      3   0.882234D+00 -0.162374D+02 -0.352828D+02 -0.479983D+00  0.712567D+01
      4  -0.393885D+01 -0.436148D+01  0.105193D+02  0.797147D+01 -0.249473D+01
      5  -0.176849D+01  0.797805D+01 -0.332581D+02  0.450365D+00  0.186278D+02
      6   0.469472D+01 -0.302310D+01 -0.360968D+01 -0.161872D+01  0.298992D+01
               121           122           123           124           125 
      1  -0.144848D+02  0.744636D+01  0.512330D+01 -0.177796D+02  0.104013D+01
      2   0.100218D+02 -0.413239D+01 -0.472825D+01  0.143165D+02 -0.178485D+01
      3   0.446307D+01 -0.331397D+01 -0.395049D+00  0.346308D+01  0.744725D+00
      4   0.949302D+01 -0.858078D+00 -0.445500D+01 -0.277155D+01 -0.344684D+01
      5   0.634308D+01 -0.574969D+01 -0.274212D+01  0.228011D+02  0.228068D+00
      6  -0.257288D+01 -0.914736D+00  0.275518D+01  0.321919D+01  0.274008D+01
               126           127           128           129           130 
      1   0.135295D+02  0.119256D+01  0.545253D+01 -0.741022D+01  0.445164D+01
      2  -0.110531D+02  0.101064D+00 -0.378025D+01  0.373519D+01 -0.135878D+01
      3  -0.247643D+01 -0.129362D+01 -0.167228D+01  0.367503D+01 -0.309286D+01
      4   0.219067D+01  0.229153D+01  0.787359D-01 -0.138778D+01  0.721323D+01
      5  -0.135663D+02 -0.502222D+01 -0.873343D+00  0.708178D+00 -0.344852D+01
      6  -0.161423D+01 -0.345617D+01  0.277109D+01 -0.191015D+01 -0.217488D+01
               131           132           133           134           135 
      1  -0.133522D+02  0.751691D+01 -0.627891D+01  0.533738D+01 -0.650220D+01
      2   0.182192D+02 -0.645978D+01  0.351473D+01 -0.315264D+01  0.194877D+01
      3  -0.486701D+01 -0.105712D+01  0.276419D+01 -0.218475D+01  0.455343D+01
      4   0.227159D+02 -0.106215D+02 -0.446390D+01 -0.882124D+01  0.815730D+01
      5  -0.106498D+02  0.119963D+02  0.506042D+01  0.860466D+01 -0.107343D+02
      6  -0.169919D+02  0.127100D+02  0.160680D+01  0.112746D+02 -0.110569D+02
               136           137           138           139           140 
      1   0.345473D+02  0.171293D+02  0.101789D+02  0.209677D+02  0.125832D+02
      2  -0.130370D+02 -0.364937D+01 -0.476670D+01 -0.253750D+01  0.450107D+01
      3  -0.215103D+02 -0.134800D+02 -0.541219D+01 -0.184302D+02 -0.170843D+02
      4   0.318196D+02  0.233109D+02  0.974765D+01  0.342538D+02  0.346746D+02
      5   0.185109D+02  0.964426D+01  0.128602D+02  0.137432D+02  0.151776D+02
      6   0.835632D+01  0.584030D+01  0.475900D+01  0.101851D+02  0.117813D+02
               141           142           143           144           145 
      1   0.424408D+01  0.882448D+01  0.256495D+01  0.653484D+01  0.149670D+02
      2   0.404635D+00 -0.562507D+01 -0.105249D+01 -0.406121D+01 -0.100264D+02
      3  -0.464871D+01 -0.319941D+01 -0.151246D+01 -0.247363D+01 -0.494060D+01
      4   0.149304D+02  0.103490D+02  0.107819D+02  0.112992D+02 -0.525786D+01
      5   0.104966D+02  0.170297D+02  0.107330D+02  0.117403D+02  0.122975D+02
      6   0.851111D+01  0.773998D+01  0.850379D+01  0.697214D+01 -0.897005D+00
               146           147           148           149           150 
      1  -0.623074D+01  0.849228D+01 -0.134146D+02  0.839797D+01 -0.347443D+01
      2   0.459440D+01 -0.621705D+01  0.103464D+02 -0.715113D+01  0.654111D+01
      3   0.163634D+01 -0.227524D+01  0.306824D+01 -0.124684D+01 -0.306668D+01
      4   0.773607D+01 -0.179169D+01  0.112377D+02 -0.159232D+02  0.105961D+02
      5  -0.399569D+01  0.100436D+02 -0.906517D+01  0.126073D+02 -0.140519D+02
      6   0.196448D+01 -0.147787D+00  0.430930D+01 -0.578908D+01  0.339312D+01
               151           152           153           154           155 
      1   0.938929D+01 -0.784655D+00  0.451940D+01  0.563166D+01 -0.537450D+01
      2  -0.851797D+01  0.420070D+01 -0.905591D+01  0.395978D+01 -0.501181D+01
      3  -0.871325D+00 -0.341604D+01  0.453651D+01 -0.959144D+01  0.103863D+02
      4  -0.104502D+01  0.724617D+01 -0.619320D+01 -0.176795D+02  0.198353D+02
      5   0.123019D+02 -0.782141D+01  0.152419D+02  0.780100D+01 -0.597364D+01
      6  -0.823486D+00  0.404335D+01 -0.224290D+01 -0.669400D+01  0.495350D+01
               156           157           158           159           160 
      1   0.364645D+01 -0.106916D+01 -0.136622D+02  0.593512D+01  0.157400D+01
      2  -0.422061D+00 -0.142580D+02  0.426767D+02 -0.123053D+02  0.799041D+00
      3  -0.322439D+01  0.153272D+02 -0.290146D+02  0.637021D+01 -0.237304D+01
      4  -0.670165D+01  0.285190D+02 -0.490669D+02  0.156798D+02 -0.807683D+01
      5   0.683564D+01 -0.809504D+01  0.156417D+02 -0.980500D+01  0.925376D+01
      6  -0.407039D+01  0.105346D+02 -0.248346D+02  0.145513D+02 -0.805399D+01
               161           162           163           164           165 
      1   0.540109D+01 -0.300727D+01  0.251903D+02  0.685206D+01  0.106517D+02
      2  -0.802831D+01  0.548328D+01 -0.191645D+02 -0.721128D+01 -0.972965D+01
      3   0.262722D+01 -0.247601D+01 -0.602583D+01  0.359221D+00 -0.922049D+00
      4   0.129881D+02 -0.117429D+02 -0.307959D+01  0.529952D+01 -0.211595D+01
      5  -0.110489D+02  0.819097D+01  0.171145D+02  0.309821D+01  0.140863D+02
      6   0.162926D+02 -0.109428D+02 -0.294677D+01  0.172141D+01 -0.428123D+01
               166           167           168           169           170 
      1   0.145919D+02  0.713489D+01  0.586504D+01  0.890542D+01  0.191184D+01
      2  -0.135377D+02 -0.701717D+01 -0.958731D+01 -0.941827D+01 -0.540863D+01
      3  -0.105417D+01 -0.117721D+00  0.372227D+01  0.512853D+00  0.349678D+01
      4   0.322706D+01  0.374536D+01  0.516011D+01 -0.388275D+01  0.524804D+01
      5   0.866859D+01  0.843649D+01  0.963405D+01  0.141485D+02  0.364455D+01
      6   0.195390D+01 -0.408274D+00 -0.648331D+00 -0.336419D+01  0.219836D+01
               171           172           173           174           175 
      1   0.689875D+01  0.577579D+02 -0.149244D+02 -0.160838D+02 -0.364492D+01
      2  -0.114600D+02 -0.257369D+02  0.256251D+01  0.935601D+01 -0.376382D+01
      3   0.456127D+01 -0.320210D+02  0.123619D+02  0.672782D+01  0.740873D+01
      4  -0.417986D+00 -0.455067D+02  0.220844D+02  0.135657D+02  0.154314D+02
      5   0.149643D+02 -0.285330D+02  0.872666D+01  0.161951D+02  0.291215D+01
      6  -0.377576D+01  0.136944D+02 -0.573283D+01 -0.855873D+01 -0.435671D+01
               176           177           178           179           180 
      1   0.524136D+01 -0.733053D+00 -0.114360D+02  0.142271D+01  0.837965D+01
      2   0.133981D+01  0.308858D+01  0.852855D+01  0.586681D+00 -0.589969D+01
      3  -0.658118D+01 -0.235553D+01  0.290749D+01 -0.200939D+01 -0.247996D+01
      4  -0.118173D+02 -0.525299D+01  0.117303D+02 -0.641130D+01 -0.102313D+02
      5  -0.573562D+01 -0.282499D+01  0.186345D+02 -0.680917D+01 -0.118958D+02
      6   0.539400D+01  0.516430D+01 -0.980108D+01  0.689095D+01  0.666864D+01
               181           182           183           184           185 
      1  -0.502231D+01 -0.122339D+02 -0.939651D+01 -0.669152D+01 -0.203367D+02
      2   0.516327D+01  0.125239D+02  0.560104D+01  0.554286D+01  0.263896D+02
      3  -0.140959D+00 -0.290046D+00  0.379547D+01  0.114866D+01 -0.605289D+01
      4   0.124108D+01  0.777951D+00  0.356352D+01  0.465705D+01 -0.823528D+01
      5  -0.183789D+01  0.124380D+01 -0.109296D+01  0.175714D+01 -0.483083D+01
      6   0.687126D+01  0.756586D+01  0.761606D+01  0.200846D+01  0.180313D+02
               186           187           188           189           190 
      1  -0.101435D+02 -0.551590D+01 -0.890103D+01 -0.110249D+02 -0.197141D+01
      2   0.105838D+02  0.212127D+01  0.794999D+01  0.648420D+01  0.150000D+02
      3  -0.440320D+00  0.339463D+01  0.951044D+00  0.454067D+01 -0.130286D+02
      4  -0.426259D+01  0.489729D+01 -0.554984D+01 -0.278593D+01  0.258685D+02
      5  -0.628997D+01  0.237060D+01 -0.491618D+01 -0.568978D+01  0.798617D+01
      6   0.145350D+02  0.208071D+01  0.139840D+02  0.143303D+02  0.133753D+02
               191           192           193           194           195 
      1  -0.855303D+01 -0.244352D+01 -0.689121D+01 -0.228070D+02 -0.741946D+01
      2   0.258590D+02  0.634336D+01  0.192570D+02  0.483622D+02  0.133917D+02
      3  -0.173060D+02 -0.389984D+01 -0.123658D+02 -0.255552D+02 -0.597227D+01
      4   0.302162D+02  0.128412D+02  0.200072D+02  0.311769D+02  0.924795D+01
      5   0.859109D+01  0.662156D+01  0.481767D+01  0.760708D+01  0.394596D+01
      6   0.141621D+02  0.968481D+01  0.953653D+01  0.226803D+02  0.147701D+02
               196           197           198           199           200 
      1  -0.269662D+01 -0.848052D+01 -0.680243D+01 -0.407822D+01  0.758766D+01
      2   0.378241D+01  0.118474D+02  0.927699D+01  0.598077D+01 -0.110373D+02
      3  -0.108579D+01 -0.336688D+01 -0.247456D+01 -0.190255D+01  0.344964D+01
      4   0.881096D+01  0.936474D+01  0.955013D+01 -0.201718D+02  0.123468D+02
      5   0.626556D+01  0.632907D+01  0.538633D+01 -0.832954D+01  0.467986D+01
      6   0.932156D+01  0.192775D+02  0.125575D+02  0.133148D+02 -0.825656D+01
               201           202           203           204           205 
      1   0.432220D+01  0.296269D+01 -0.688314D+01 -0.497914D+01  0.325958D+01
      2  -0.156467D+01 -0.498731D+01  0.111318D+02  0.763392D+01  0.215688D-01
      3  -0.275753D+01  0.202462D+01 -0.424867D+01 -0.265478D+01 -0.328115D+01
      4   0.119049D+02  0.730392D+01 -0.550331D+01 -0.209847D+01  0.801217D+01
      5   0.534508D+01  0.169107D+01 -0.154502D+01 -0.763719D+00  0.530315D+01
      6  -0.146696D+02 -0.354712D+01  0.104796D+02  0.808390D+01 -0.874339D+01
               206           207           208           209           210 
      1  -0.758820D+01 -0.723466D+01 -0.533335D+01  0.128293D+02 -0.527633D+01
      2   0.889393D+01  0.267711D+01  0.970764D+01 -0.213616D+02  0.659374D+01
      3  -0.130573D+01  0.455754D+01 -0.437429D+01  0.853231D+01 -0.131741D+01
      4  -0.229307D+01 -0.773600D+01 -0.503890D+01  0.125722D+02 -0.582047D+01
      5  -0.174332D+01 -0.421082D+01  0.507661D+00 -0.340682D+01  0.299052D+01
      6   0.110424D+02  0.148394D+02 -0.708364D+01  0.940857D+01 -0.479263D+01
               211           212           213           214           215 
      1   0.515005D+01 -0.468902D+02  0.139814D+02 -0.272449D+01  0.142413D+02
      2  -0.873497D+01  0.811354D+02 -0.209952D+02  0.243692D+01 -0.177707D+02
      3   0.358493D+01 -0.342452D+02  0.701379D+01  0.287567D+00  0.352946D+01
      4   0.828101D+01 -0.408735D+01  0.151351D+01 -0.385174D+01  0.971864D+00
      5  -0.169356D+01  0.823162D-01  0.936691D+00  0.263362D+01  0.571353D+00
      6   0.369342D+01 -0.321480D+02  0.183677D+02 -0.241884D+01  0.228859D+02
               216           217           218           219           220 
      1  -0.111885D+02  0.124757D+02 -0.144215D+01 -0.395654D+01 -0.194237D+01
      2   0.136693D+02 -0.827287D+01  0.492960D+01  0.547241D+01  0.400496D+01
      3  -0.248086D+01 -0.420284D+01 -0.348745D+01 -0.151587D+01 -0.206258D+01
      4  -0.105668D+01  0.249610D+02  0.924906D+01 -0.119734D+02  0.189183D+01
      5   0.167086D+00 -0.153978D+02 -0.336477D+01  0.112089D+02  0.119735D+01
      6  -0.136354D+02 -0.121035D+02 -0.459460D+01  0.133841D+02 -0.137878D+01
               221           222           223           224           225 
      1  -0.118394D+01  0.342659D+01 -0.130497D+01  0.439040D+01 -0.300708D+00
      2   0.316358D+01 -0.693468D+01  0.382616D+01 -0.685054D+01 -0.424210D+01
      3  -0.197964D+01  0.350809D+01 -0.252119D+01  0.246014D+01  0.454281D+01
      4   0.317457D+01 -0.147566D+01 -0.914309D+01 -0.428943D+01  0.897374D+01
      5  -0.283891D+01 -0.520429D+00  0.985390D+01  0.223423D+01 -0.956822D+01
      6  -0.612185D+01  0.222969D+01  0.923530D+01  0.649727D+01 -0.120921D+02
               226           227           228           229           230 
      1   0.124212D+02  0.180198D+01 -0.149563D+01 -0.219723D+01  0.209382D+01
      2  -0.399646D+01 -0.769078D+01  0.549140D+00 -0.156674D+01  0.285803D+01
      3  -0.842471D+01  0.588880D+01  0.946488D+00  0.376397D+01 -0.495185D+01
      4  -0.238429D+02  0.108557D+02 -0.436927D+01  0.909452D+01 -0.710688D+01
      5   0.109511D+02 -0.484476D+01  0.455075D+01 -0.244239D+01  0.137169D+01
      6  -0.381070D+01  0.678520D+01 -0.553149D+01  0.151188D+01  0.347305D-01
               231           232           233           234           235 
      1  -0.122603D+01 -0.103159D+01 -0.357098D+01  0.135465D+01 -0.654393D+00
      2   0.124085D+01 -0.174268D+01  0.622475D+01 -0.331095D+01 -0.220982D+01
      3  -0.148233D-01  0.277427D+01 -0.265377D+01  0.195630D+01  0.286421D+01
      4   0.144232D+01  0.215212D+01 -0.494235D+00 -0.320504D+01 -0.120483D+01
      5  -0.132239D+01  0.224858D+01 -0.684928D+00  0.185635D+01  0.164145D+01
      6   0.125558D+01 -0.263620D+01 -0.655844D+00 -0.502192D+00 -0.245581D+01
               236           237           238           239           240 
      1  -0.298917D+01  0.193241D+01 -0.181271D+01  0.100003D+01 -0.157637D+01
      2   0.295112D+01 -0.666241D+00  0.113613D+01 -0.377231D+01 -0.319494D+01
      3   0.380468D-01 -0.126617D+01  0.676577D+00  0.277229D+01  0.477131D+01
      4   0.247433D+01 -0.307871D+01  0.300084D+00 -0.138790D+00  0.581110D-01
      5  -0.956659D+00  0.514977D+01 -0.140941D+00 -0.116511D+01  0.108004D+01
      6  -0.114729D+01  0.102787D+01 -0.852156D+00  0.485927D+00  0.124323D+01
               241           242           243           244           245 
      1  -0.110274D+01  0.650820D+01 -0.172173D+02  0.296108D+02 -0.200932D+01
      2  -0.324780D+01 -0.380616D+01 -0.193561D+02 -0.182616D+02  0.524999D+01
      3   0.435054D+01 -0.270204D+01  0.365734D+02 -0.113492D+02 -0.324067D+01
      4  -0.382742D+01  0.221931D+00 -0.340314D+01  0.162698D+02  0.647553D+01
      5   0.438000D+01 -0.104574D+01  0.574264D+01  0.135460D+02  0.195231D+01
      6  -0.364386D+01  0.773193D+01 -0.235044D+02  0.103968D+01  0.373234D+01
               246           247           248           249           250 
      1   0.246215D+01 -0.720080D+00  0.453355D+01  0.102574D+01 -0.178621D+01
      2  -0.333966D+01  0.183833D+01 -0.248305D+01 -0.668093D+00 -0.179685D+01
      3   0.877506D+00 -0.111825D+01 -0.205050D+01 -0.357649D+00  0.358306D+01
      4   0.355755D+01  0.163989D+01  0.313676D-01 -0.132713D+01 -0.311685D+01
      5   0.647610D+01 -0.227107D+01 -0.744119D+00 -0.855374D+00  0.298127D+01
      6   0.335474D+01 -0.213577D+00 -0.229343D+01 -0.695202D+00  0.111403D+01
               251           252           253           254           255 
      1   0.268504D+01  0.293934D+01  0.197167D+01  0.321393D+01  0.415484D+01
      2  -0.407730D+01 -0.488131D+01 -0.456440D+01 -0.325190D+01 -0.116581D+01
      3   0.139227D+01  0.194197D+01  0.259273D+01  0.379673D-01 -0.298902D+01
      4  -0.284214D+01  0.604581D+00 -0.390172D+00 -0.841033D+00  0.139437D+01
      5  -0.843418D+00  0.189112D+01  0.200397D+01 -0.904504D+00  0.383389D+01
      6  -0.139764D+01 -0.274889D+00  0.596946D+00 -0.166987D+01 -0.208453D+01
               256           257           258           259           260 
      1   0.939205D+00 -0.160475D+01  0.293509D+00 -0.657162D+00 -0.495521D+01
      2  -0.333690D+00 -0.143274D+01  0.363604D+01 -0.440620D+01  0.413296D+01
      3  -0.605516D+00  0.303750D+01 -0.392955D+01  0.506336D+01  0.822248D+00
      4  -0.133109D+01 -0.885177D+00  0.855209D-01  0.325690D+01  0.277454D+01
      5  -0.154787D+01 -0.803867D+00 -0.215287D+01  0.653965D+01  0.154217D+01
      6  -0.109024D+01  0.104880D+01  0.256476D+01  0.414745D+01  0.557742D+01
               261           262           263           264           265 
      1  -0.151149D+02  0.223127D+02  0.869816D+01 -0.244252D+01  0.138087D+02
      2  -0.214559D+02 -0.123248D+02 -0.584147D+01  0.293492D+01 -0.882683D+01
      3   0.365708D+02 -0.998786D+01 -0.285669D+01 -0.492401D+00 -0.498191D+01
      4   0.165206D+01  0.984054D+01  0.101298D+02 -0.220991D+01  0.661988D+01
      5   0.143234D+02 -0.736179D+01 -0.335336D+01  0.504318D+01 -0.911543D+01
      6   0.194935D+02 -0.373948D+01 -0.358403D+01  0.102938D+01 -0.303096D+01
               266           267           268           269           270 
      1   0.720659D+01 -0.300230D+01  0.534137D+01  0.861386D+00  0.627071D+00
      2  -0.382906D+01  0.381471D+01 -0.166006D+01  0.216952D+00 -0.257851D+01
      3  -0.337753D+01 -0.812409D+00 -0.368131D+01 -0.107834D+01  0.195143D+01
      4   0.124599D+02 -0.239047D+00 -0.309176D+01  0.266899D+01  0.362631D+01
      5  -0.206563D+01  0.525646D+01  0.150902D+01  0.306867D+01 -0.135728D+01
      6  -0.506516D+01  0.759858D+00  0.111145D+01  0.103837D+00 -0.136290D+01
               271           272           273           274           275 
      1  -0.179404D+01  0.454210D+00 -0.379166D+01  0.126583D+01 -0.143469D+01
      2  -0.678093D+00  0.439975D-02 -0.985147D+00 -0.145143D+01 -0.170834D+01
      3   0.247213D+01 -0.458610D+00  0.477680D+01  0.185601D+00  0.314303D+01
      4   0.418369D+01 -0.245270D+00 -0.753053D+00  0.213574D+01 -0.779834D+00
      5   0.533055D+00 -0.134010D+01  0.129432D+01 -0.149125D+01 -0.246715D+01
      6  -0.319562D+00 -0.476045D+00  0.114250D+01 -0.132948D+01  0.894824D+00
               276           277           278           279           280 
      1  -0.879764D+00 -0.153549D+01  0.177147D+00 -0.158826D+02 -0.464547D+01
      2   0.216347D+01  0.603991D+01  0.222702D+01 -0.206922D+02  0.712140D+01
      3  -0.128371D+01 -0.450442D+01 -0.240417D+01  0.365748D+02 -0.247592D+01
      4  -0.263965D+01  0.234915D+01 -0.463310D+01  0.262331D+01  0.899810D+01
      5   0.118819D+01  0.891565D+01  0.101422D+01 -0.232059D+02 -0.405181D+01
      6   0.508488D+01 -0.157643D+01  0.319305D+01  0.678485D+01 -0.106642D+01
               281           282           283           284           285 
      1  -0.887649D+01  0.326246D+01 -0.695663D+01 -0.165449D+02  0.385134D+01
      2   0.128839D+02 -0.251626D+01  0.883115D+01  0.274836D+02 -0.326912D+01
      3  -0.400737D+01 -0.746207D+00 -0.187451D+01 -0.109387D+02 -0.582211D+00
      4   0.399936D+01  0.848674D+00  0.841725D+01  0.660279D+01 -0.133123D+01
      5  -0.198747D+01  0.144887D-01 -0.327945D+01 -0.342070D+01  0.367089D+00
      6  -0.851198D+01  0.457856D+01 -0.289428D+01 -0.937132D+01  0.575696D+01
               286           287           288           289           290 
      1  -0.390776D+00 -0.834520D+00 -0.345424D+01 -0.127549D+01 -0.189575D+01
      2   0.975173D+00  0.464329D+01  0.151597D+01 -0.190014D+01  0.162884D+01
      3  -0.584397D+00 -0.380877D+01  0.193827D+01  0.317563D+01  0.266907D+00
      4   0.299027D+01 -0.352588D+01  0.308413D+01 -0.873893D+00  0.103486D+01
      5  -0.427192D+00  0.849575D+00 -0.117572D+01  0.135572D+01 -0.899356D+00
      6   0.280621D+01  0.201065D+01 -0.150336D+01 -0.190191D+01 -0.197092D+01
               291           292           293           294           295 
      1   0.289388D+01  0.147937D+00 -0.203446D+01 -0.448933D+00  0.268623D+01
      2  -0.970593D+00  0.229145D+00 -0.423431D+00 -0.408382D+01 -0.852874D+00
      3  -0.192329D+01 -0.377082D+00  0.245790D+01  0.453275D+01 -0.183336D+01
      4  -0.210133D+01 -0.956505D+00  0.428109D+01 -0.642051D+00 -0.460953D+01
      5   0.471190D+01 -0.744979D-01 -0.539895D+00  0.157103D+01  0.334822D+01
      6   0.165525D+01 -0.169590D+01  0.230838D-01  0.169237D+01  0.306645D+00
               296           297           298           299           300 
      1   0.572990D+01 -0.213109D+02 -0.333126D+01  0.378648D+01  0.242995D+00
      2  -0.918850D+00 -0.152448D+02  0.496932D+01 -0.393799D+01  0.216615D+00
      3  -0.481105D+01  0.365557D+02 -0.163806D+01  0.151503D+00 -0.459611D+00
      4   0.266487D+01  0.192499D+01 -0.189932D+01  0.430122D+00 -0.183135D+01
      5  -0.230895D+01  0.970798D+01 -0.262566D+01 -0.156514D+00 -0.887078D+00
      6   0.877775D+01 -0.221759D+02 -0.797645D+00 -0.417393D+01 -0.182602D+01
               301           302           303           304           305 
      1   0.587190D+01 -0.207140D+02 -0.418737D+01 -0.306017D+01 -0.143105D+01
      2  -0.389286D+01  0.324367D+02  0.336406D+01  0.214725D+01 -0.229051D+01
      3  -0.197905D+01 -0.117227D+02  0.823314D+00  0.912922D+00  0.372155D+01
      4   0.567649D+01  0.105574D+02  0.248163D+01 -0.319854D+01 -0.344241D+01
      5   0.319913D+01 -0.282789D+00  0.239220D+01 -0.135970D+01  0.548885D+00
      6   0.536546D+00  0.133793D+02  0.669368D+01 -0.141046D+01  0.295806D+01
               306           307           308           309           310 
      1  -0.491845D+01 -0.888861D+00  0.471330D+00  0.371258D+01 -0.247738D+01
      2   0.296540D+01 -0.220741D+01  0.656256D-01 -0.211218D+00  0.238008D+01
      3   0.195305D+01  0.309627D+01 -0.536956D+00 -0.350137D+01  0.973030D-01
      4  -0.417629D+00 -0.460168D+00 -0.134373D+01  0.419612D+00 -0.155188D+01
      5  -0.500781D+00  0.143053D+01 -0.736478D+00  0.313142D+01 -0.140368D+01
      6   0.185502D+01 -0.262227D+00 -0.198260D+01 -0.224468D+01 -0.142549D+01
               311           312           313           314           315 
      1  -0.466846D+01 -0.942307D+00  0.390269D+01 -0.468216D+01 -0.217592D+02
      2   0.214943D+01  0.444458D+01 -0.406779D+01 -0.413019D+00 -0.148167D+02
      3   0.251903D+01 -0.350227D+01  0.165107D+00  0.509518D+01  0.365760D+02
      4  -0.162325D+01  0.725666D+00  0.346800D+01  0.313960D+01  0.765026D+00
      5   0.277251D-01 -0.220687D+01  0.486386D+01  0.391066D+01  0.174781D+02
      6   0.163838D+01  0.324392D+01  0.132294D+01  0.723286D+01  0.166875D+02
               316           317           318           319           320 
      1   0.647140D+01 -0.340248D+01  0.605629D+00 -0.980442D+01  0.631389D+00
      2  -0.205558D+00 -0.651646D+00 -0.481206D+00  0.362520D+01  0.649627D+01
      3  -0.626584D+01  0.405413D+01 -0.124423D+00  0.617922D+01 -0.712765D+01
      4  -0.942696D+01  0.109360D+02  0.220652D+01  0.113441D+02 -0.225082D+02
      5  -0.140526D+01  0.231235D+01  0.218123D+01  0.785133D+01 -0.393495D+01
      6   0.230580D+01 -0.328677D+01 -0.162901D+01 -0.497000D+01  0.943359D+01
               321           322           323           324           325 
      1   0.172882D+01  0.642632D+01 -0.147359D+01 -0.239919D+01 -0.402343D+01
      2  -0.266335D+01 -0.343374D+01 -0.933627D+00  0.452350D+00  0.134521D+01
      3   0.934522D+00 -0.299258D+01  0.240722D+01  0.194684D+01  0.267822D+01
      4  -0.369893D+01  0.522285D+00  0.207984D+01 -0.369878D+01 -0.125925D+01
      5  -0.583311D+01 -0.172453D+00 -0.295170D+01 -0.731033D+00  0.808142D+00
      6   0.360566D+01 -0.999426D+00  0.177431D+01  0.178138D+01 -0.874765D+00
               326           327           328           329           330 
      1   0.736112D+00 -0.318053D+01  0.191992D+01 -0.147786D+01 -0.233455D+00
      2  -0.138964D+01 -0.172708D+01 -0.193321D+01 -0.146829D+01  0.873819D+00
      3   0.653524D+00  0.490761D+01  0.132925D-01  0.294615D+01 -0.640364D+00
      4   0.684036D+00  0.285241D+00  0.317713D+01 -0.855743D+00 -0.329967D+01
      5  -0.372209D+00  0.103850D+01 -0.552054D+00 -0.283200D+01  0.483118D+00
      6  -0.544105D+00  0.535031D+00 -0.139077D+01  0.108728D+01  0.534788D+01
               331           332           333 
      1  -0.336806D+01 -0.268422D+01 -0.184441D+02
      2   0.660904D+01 -0.127863D+01 -0.181280D+02
      3  -0.324097D+01  0.396285D+01  0.365722D+02
      4  -0.586136D+00 -0.408599D+01 -0.356604D+01
      5   0.827944D+01 -0.313412D+01 -0.240430D+02
      6  -0.536173D+00  0.383580D+01  0.263907D+01
 Leave Link  716 at Fri Jul 23 00:50:14 2021, MaxMem=  5637144576 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.155857D+03 -0.289499D-02 -0.319420D-03
      2  -0.289499D-02  0.155854D+03 -0.308713D-02
      3  -0.319420D-03 -0.308713D-02  0.127987D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.311290D+01  0.518444D-01 -0.349250D-02
      2  -0.252825D-01 -0.308328D+01  0.345241D-02
      3  -0.198170D-01 -0.817543D-02 -0.790653D+00
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.610186D+02  0.912619D+02  0.948347D-02
      2  -0.610349D+02 -0.912593D+02 -0.172457D-01
      3   0.163588D-01 -0.262966D-02  0.776223D-02
      4   0.912428D+02 -0.610630D+02  0.283748D-02
      5  -0.156880D-01  0.574907D+01  0.395627D-02
      6  -0.574420D+01 -0.372465D-01 -0.132521D-01
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=   111 ND12= 1 LenFil=    3999:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.288117D+01 -0.977627D+00 -0.265056D+01 -0.124527D+01 -0.295616D+01
      2  -0.977627D+00 -0.495302D+01  0.115560D+01 -0.295616D+01  0.752763D+01
      3  -0.265056D+01  0.115560D+01  0.805855D+00  0.382152D+00 -0.397266D+01
                 6             7             8             9            10 
      1   0.382152D+00 -0.190827D+01  0.718405D+00  0.100560D+01 -0.142295D+01
      2  -0.397266D+01  0.718405D+00 -0.262624D+01  0.971642D+00  0.390763D+01
      3   0.735753D+00  0.100560D+01  0.971642D+00  0.541567D+00  0.339049D+01
                11            12            13            14            15 
      1   0.390763D+01  0.339049D+01  0.289527D+01  0.400259D+01  0.628698D+00
      2   0.573702D+01  0.140059D+01  0.400259D+01  0.209914D+01  0.323516D+01
      3   0.140059D+01 -0.458906D+00  0.628698D+00  0.323516D+01  0.993424D+00
                16            17            18            19            20 
      1   0.252592D+01  0.767480D+00 -0.555004D+00  0.865983D+00 -0.226965D+01
      2   0.767480D+00  0.201527D+01  0.128875D+01 -0.226965D+01 -0.266281D+01
      3  -0.555004D+00  0.128875D+01 -0.541687D+00 -0.190625D+01 -0.879769D+00
                21            22            23            24            25 
      1  -0.190625D+01 -0.376960D+01 -0.561697D+01 -0.229491D+01 -0.239144D+01
      2  -0.879769D+00 -0.561697D+01 -0.678567D+01 -0.477615D+01 -0.144887D+01
      3  -0.107372D+01 -0.229491D+01 -0.477615D+01 -0.209654D+01 -0.153401D+01
                26            27            28            29            30 
      1  -0.144887D+01 -0.153401D+01 -0.132294D+01 -0.196976D+01 -0.310896D-02
      2  -0.280173D+01 -0.186782D+01 -0.196976D+01  0.129501D+01 -0.195974D+01
      3  -0.186782D+01  0.170236D+01 -0.310896D-02 -0.195974D+01 -0.448677D-02
                31            32            33            34            35 
      1  -0.199597D+01  0.132603D+01  0.198077D+01  0.217813D-01 -0.102048D-01
      2   0.132603D+01  0.199864D+01 -0.126534D-01 -0.102048D-01  0.226998D-01
      3   0.198077D+01 -0.126534D-01  0.315042D-02 -0.117351D-02 -0.343617D-02
                36            37            38            39            40 
      1  -0.117351D-02 -0.190065D+01  0.781423D+00  0.120178D+01  0.533037D+00
      2  -0.343617D-02  0.781423D+00 -0.486064D+00  0.599892D+00  0.281668D+01
      3   0.212019D-02  0.120178D+01  0.599892D+00  0.186625D+00 -0.816854D+00
                41            42            43            44            45 
      1   0.281668D+01 -0.816854D+00  0.142500D+01 -0.881204D+00  0.700559D+00
      2  -0.109750D+02  0.548360D+01 -0.881204D+00  0.374970D+01 -0.230947D+01
      3   0.548360D+01 -0.234004D+01  0.700559D+00 -0.230947D+01 -0.170416D+01
                46            47            48            49            50 
      1   0.498445D+01  0.541251D+01  0.431700D+01  0.269827D+01  0.339066D+01
      2   0.541251D+01  0.525776D+01  0.261159D+01  0.339066D+01  0.465748D+00
      3   0.431700D+01  0.261159D+01  0.193329D+01  0.119958D+01  0.236126D+01
                51            52            53            54            55 
      1   0.119958D+01  0.241890D+01  0.145073D+01  0.165540D+01 -0.474311D+00
      2   0.236126D+01  0.145073D+01  0.277488D+01  0.176908D+01 -0.311001D+01
      3   0.134174D+01  0.165540D+01  0.176908D+01 -0.169667D+01 -0.297401D+01
                56            57            58            59            60 
      1  -0.311001D+01 -0.297401D+01 -0.470527D+01 -0.515182D+01 -0.134551D+01
      2  -0.391937D+01 -0.570223D+00 -0.515182D+01 -0.221603D+00 -0.364686D+01
      3  -0.570223D+00 -0.104016D+01 -0.134551D+01 -0.364686D+01  0.325589D+00
                61            62            63            64            65 
      1  -0.182321D+01 -0.672433D+00 -0.134890D+01 -0.865773D+01  0.145475D+01
      2  -0.672433D+00 -0.271097D+01  0.380702D+00  0.145475D+01  0.217120D+01
      3  -0.134890D+01  0.380702D+00  0.541772D+00  0.415187D+01 -0.186917D+00
                66            67            68            69            70 
      1   0.415187D+01  0.347136D+01  0.216582D+01 -0.961735D+00  0.280243D+01
      2  -0.186917D+00  0.216582D+01 -0.222745D+01  0.247166D+01 -0.604560D+00
      3  -0.628697D+00 -0.961735D+00  0.247166D+01 -0.892230D+00 -0.837683D+00
                71            72            73            74            75 
      1  -0.604560D+00 -0.837683D+00  0.113208D+02 -0.110010D+01 -0.544107D+01
      2   0.173351D+01 -0.112322D+01 -0.110010D+01 -0.126615D+01  0.253517D+00
      3  -0.112322D+01 -0.542697D+00 -0.544107D+01  0.253517D+00  0.235770D+01
                76            77            78            79            80 
      1   0.219099D+01 -0.109467D+01 -0.115508D+01 -0.394558D+01  0.550995D+00
      2  -0.109467D+01  0.150831D+01 -0.124429D+01  0.550995D+00 -0.123569D+01
      3  -0.115508D+01 -0.124429D+01  0.109001D+00  0.238828D+01 -0.394592D+00
                81            82            83            84            85 
      1   0.238828D+01 -0.109295D+01  0.223202D+01 -0.268470D+01  0.439276D+00
      2  -0.394592D+00  0.223202D+01 -0.713552D+01  0.274057D+01 -0.437298D+01
      3   0.170409D+01 -0.268470D+01  0.274057D+01 -0.127897D+01  0.133037D+01
                86            87            88            89            90 
      1  -0.437298D+01  0.133037D+01 -0.144953D+01  0.900706D+00 -0.856027D+00
      2   0.642110D+01 -0.400346D+01  0.900706D+00 -0.376388D+01  0.226028D+01
      3  -0.400346D+01  0.197832D+01 -0.856027D+00  0.226028D+01  0.170351D+01
                91            92            93            94            95 
      1  -0.128618D+01  0.108026D+01  0.239707D+01  0.889566D-01  0.521133D+01
      2   0.108026D+01  0.347367D+01 -0.593287D-01  0.521133D+01 -0.633128D+01
      3   0.239707D+01 -0.593287D-01  0.109588D+01 -0.829002D+00  0.423375D+01
                96            97            98            99           100 
      1  -0.829002D+00  0.147562D+01 -0.158894D+00  0.139496D+01  0.790417D+01
      2   0.423375D+01 -0.158894D+00  0.305917D+01 -0.158458D+00 -0.393824D+01
      3  -0.940783D-01  0.139496D+01 -0.158458D+00 -0.546481D+00 -0.430796D+01
               101           102           103           104           105 
      1  -0.393824D+01 -0.430796D+01 -0.207666D+01 -0.220189D+01 -0.202305D+00
      2  -0.144424D+01  0.574388D+00 -0.220189D+01  0.732413D+00 -0.231141D+01
      3   0.574388D+00  0.234573D+00 -0.202305D+00 -0.231141D+01 -0.106647D+01
               106           107           108           109           110 
      1  -0.307011D+01 -0.517704D-01  0.344198D+00 -0.836502D+01  0.359035D+01
      2  -0.517704D-01 -0.145914D+01 -0.136073D+01  0.359035D+01  0.525506D+00
      3   0.344198D+00 -0.136073D+01  0.543785D+00  0.450727D+01 -0.109543D+01
               111           112           113           114           115 
      1   0.450727D+01  0.658061D+01 -0.919395D+00 -0.251215D+01  0.391736D+01
      2  -0.109543D+01 -0.919395D+00  0.704198D+00  0.217727D+01 -0.560160D+00
      3  -0.212535D+01 -0.251215D+01  0.217727D+01  0.100333D+01 -0.235589D+01
               116           117           118           119           120 
      1  -0.560160D+00 -0.235589D+01  0.119602D+02  0.190691D+00 -0.325817D+01
      2   0.122984D+01  0.547132D+00  0.190691D+00  0.971372D+00 -0.356807D-02
      3   0.547132D+00 -0.170450D+01 -0.325817D+01 -0.356807D-02  0.210849D+01
               121           122           123           124           125 
      1  -0.246511D+01  0.115240D+01  0.924392D+00 -0.330677D+01 -0.269314D-01
      2   0.115240D+01  0.164643D+00 -0.747263D+00 -0.269314D-01 -0.463624D+00
      3   0.924392D+00 -0.747263D+00 -0.257931D+00  0.262651D+01  0.206298D+00
               126           127           128           129           130 
      1   0.262651D+01  0.227691D+00  0.644186D+00 -0.926034D+00  0.112123D+01
      2   0.206298D+00  0.644186D+00 -0.695794D+00  0.233047D+00  0.507984D+00
      3  -0.154846D+01 -0.926034D+00  0.233047D+00 -0.329667D+00 -0.196056D+00
               131           132           133           134           135 
      1   0.507984D+00 -0.196056D+00 -0.135248D+01 -0.387325D+00  0.450890D+00
      2   0.473977D+01 -0.224603D+01 -0.387325D+00 -0.183127D+01  0.172676D+01
      3  -0.224603D+01  0.231434D+01  0.450890D+00  0.172676D+01 -0.222378D+01
               136           137           138           139           140 
      1   0.617373D+01  0.321538D+01  0.188205D+01  0.521430D+01  0.444406D+01
      2   0.321538D+01  0.268362D+01  0.867254D+00  0.444406D+01  0.448321D+01
      3   0.188205D+01  0.867254D+00  0.151482D+01  0.179535D+01  0.212135D+01
               141           142           143           144           145 
      1   0.179535D+01  0.227843D+01  0.136472D+01  0.220855D+01  0.221642D+01
      2   0.212135D+01  0.136472D+01  0.148955D+01  0.143434D+01 -0.919657D+00
      3   0.148762D+01  0.220855D+01  0.143434D+01  0.154779D+01  0.139961D+01
               146           147           148           149           150 
      1  -0.919657D+00  0.139961D+01 -0.203532D+01  0.166163D+01 -0.847603D+00
      2   0.100198D+01 -0.417278D+00  0.166163D+01 -0.290022D+01  0.177460D+01
      3  -0.417278D+00  0.115092D+01 -0.847603D+00  0.177460D+01 -0.203547D+01
               151           152           153           154           155 
      1   0.190740D+01 -0.331120D+00  0.140955D+01 -0.238415D+01  0.194503D+01
      2  -0.331120D+00  0.128098D+01 -0.109559D+01  0.194503D+01 -0.209879D+01
      3   0.140955D+01 -0.109559D+01  0.222222D+01 -0.977812D+00  0.394762D+00
               156           157           158           159           160 
      1  -0.977812D+00  0.311476D+01 -0.448834D+01  0.132249D+01 -0.119836D+01
      2   0.394762D+00 -0.448834D+01  0.924015D+01 -0.303056D+01  0.124481D+01
      3  -0.831592D+00  0.132249D+01 -0.303056D+01  0.195521D+01 -0.149275D+01
               161           162           163           164           165 
      1   0.124481D+01 -0.149275D+01 -0.375082D+01 -0.773298D+00 -0.190128D+01
      2  -0.257298D+01  0.217159D+01 -0.773298D+00 -0.109861D+01 -0.365932D+00
      3   0.217159D+01 -0.154946D+01 -0.190128D+01 -0.365932D+00 -0.184201D+01
               166           167           168           169           170 
      1  -0.205038D+01 -0.128659D+01 -0.795152D+00 -0.204964D+01 -0.131739D-01
      2  -0.128659D+01 -0.127393D+01 -0.127550D+01 -0.131739D-01 -0.114031D+01
      3  -0.795152D+00 -0.127550D+01 -0.144247D+01 -0.172290D+01 -0.473930D+00
               171           172           173           174           175 
      1  -0.172290D+01 -0.105463D+02  0.375519D+01  0.321291D+01  0.122825D+01
      2  -0.473930D+00  0.375519D+01 -0.228027D+01 -0.102481D+01 -0.142949D+01
      3  -0.222813D+01  0.321291D+01 -0.102481D+01 -0.204455D+01 -0.960810D-01
               176           177           178           179           180 
      1  -0.142949D+01 -0.960810D-01  0.286912D+01 -0.102286D+01 -0.234622D+01
      2   0.158633D+01  0.787435D+00 -0.102286D+01  0.898031D+00  0.119460D+01
      3   0.787435D+00  0.567799D+00 -0.234622D+01  0.119460D+01  0.154537D+01
               181           182           183           184           185 
      1   0.821066D+00  0.107731D+01  0.113194D+01  0.107076D+01  0.542186D+00
      2   0.107731D+01  0.184169D+01  0.693711D+00  0.542186D+00  0.419552D+01
      3   0.113194D+01  0.693711D+00  0.118661D+01  0.262568D+00  0.204219D+01
               186           187           188           189           190 
      1   0.262568D+00  0.115432D+01 -0.108163D+00  0.243306D+00 -0.306961D+01
      2   0.204219D+01 -0.108163D+00  0.204242D+01  0.176883D+01 -0.381683D+01
      3   0.201652D+01  0.243306D+00  0.176883D+01  0.222462D+01 -0.177477D+01
               191           192           193           194           195 
      1  -0.381683D+01 -0.177477D+01 -0.233222D+01 -0.318105D+01 -0.854192D+00
      2  -0.538890D+01 -0.178192D+01 -0.318105D+01 -0.771618D+01 -0.223246D+01
      3  -0.178192D+01 -0.127903D+01 -0.854192D+00 -0.223246D+01 -0.169766D+01
               196           197           198           199           200 
      1  -0.115166D+01 -0.121823D+01 -0.113496D+01  0.345355D+01 -0.161363D+01
      2  -0.121823D+01 -0.261937D+01 -0.237787D+01 -0.161363D+01  0.186164D+01
      3  -0.113496D+01 -0.237787D+01 -0.154895D+01 -0.193293D+01  0.777413D+00
               201           202           203           204           205 
      1  -0.193293D+01 -0.812992D+00  0.841603D+00  0.347531D+00 -0.137853D+01
      2   0.777413D+00  0.841603D+00 -0.171742D+01 -0.124075D+01  0.400137D+00
      3   0.216900D+01  0.347531D+00 -0.124075D+01 -0.874042D+00  0.127027D+01
               206           207           208           209           210 
      1   0.400137D+00  0.127027D+01  0.321387D+00 -0.160175D+01  0.908106D+00
      2  -0.181252D+01 -0.125545D+01 -0.160175D+01  0.364605D+01 -0.123209D+01
      3  -0.125545D+01 -0.222693D+01  0.908106D+00 -0.123209D+01  0.529916D+00
               211           212           213           214           215 
      1  -0.107658D+01  0.103555D+01 -0.304957D+00  0.504586D+00 -0.340475D+00
      2   0.103555D+01 -0.114478D+02  0.309391D+01 -0.340475D+00  0.326261D+01
      3  -0.304957D+00  0.309391D+01 -0.205426D+01  0.137379D+00 -0.262840D+01
               216           217           218           219           220 
      1   0.137379D+00 -0.462434D+01 -0.887439D+00  0.222979D+01  0.240488D+00
      2  -0.262840D+01 -0.887439D+00 -0.126390D+01  0.368704D+00 -0.627798D+00
      3   0.154528D+01  0.222979D+01  0.368704D+00 -0.233979D+01 -0.610743D-01
               221           222           223           224           225 
      1  -0.627798D+00 -0.610743D-01  0.172726D+01  0.438221D+00 -0.165418D+01
      2  -0.562766D+00  0.945421D+00  0.438221D+00  0.146969D+01 -0.673082D+00
      3   0.945421D+00  0.208980D-01 -0.165418D+01 -0.673082D+00  0.222527D+01
               226           227           228           229           230 
      1   0.528342D+01 -0.179969D+01  0.830107D+00 -0.194321D+01  0.101478D+01
      2  -0.179969D+01  0.341353D+01 -0.127785D+01  0.101478D+01 -0.469462D+00
      3   0.830107D+00 -0.127785D+01  0.134948D+01 -0.172536D+00 -0.554123D+00
               231           232           233           234           235 
      1  -0.172536D+00  0.248915D-01  0.119283D+00  0.584706D+00  0.646575D+00
      2  -0.554123D+00  0.119283D+00 -0.194559D+01  0.469271D+00 -0.395457D+00
      3  -0.114555D+00  0.584706D+00  0.469271D+00  0.243383D+00  0.696801D+00
               236           237           238           239           240 
      1  -0.395457D+00  0.696801D+00 -0.488323D+00 -0.454122D+00  0.229998D+00
      2  -0.975016D+00  0.303677D+00 -0.454122D+00  0.132901D+01 -0.172605D+00
      3   0.303677D+00 -0.202651D+00  0.229998D+00 -0.172605D+00  0.706682D+00
               241           242           243           244           245 
      1   0.986944D+00 -0.849596D-01  0.101622D+01 -0.673828D+01 -0.631655D+00
      2  -0.849596D-01  0.208170D+01 -0.121600D+01 -0.631655D+00 -0.222030D+01
      3   0.101622D+01 -0.121600D+01  0.738282D+01 -0.113597D+01 -0.572741D+00
               246           247           248           249           250 
      1  -0.113597D+01  0.147081D+00  0.559176D-01  0.531303D+00  0.352802D+00
      2  -0.572741D+00  0.559176D-01  0.957065D+00  0.866872D+00  0.784929D+00
      3  -0.128903D+01  0.531303D+00  0.866872D+00  0.413961D+00 -0.358368D+00
               251           252           253           254           255 
      1   0.784929D+00 -0.358368D+00 -0.600814D+00  0.640845D+00 -0.379561D+00
      2   0.157616D+01  0.659037D+00  0.640845D+00  0.121982D+01  0.532039D+00
      3   0.659037D+00 -0.237955D+00 -0.379561D+00  0.532039D+00  0.455995D+00
               256           257           258           259           260 
      1   0.353690D+00  0.778275D+00  0.459657D+00 -0.120894D+01 -0.446919D+00
      2   0.778275D+00  0.290271D+00 -0.142547D+00 -0.446919D+00 -0.186081D+01
      3   0.459657D+00 -0.142547D+00  0.577081D+00 -0.140752D+01 -0.732437D+00
               261           262           263           264           265 
      1  -0.140752D+01 -0.419815D+01 -0.184493D+01  0.420155D+00 -0.385446D+01
      2  -0.732437D+00 -0.184493D+01 -0.222869D+01  0.410077D+00 -0.905760D+00
      3  -0.738158D+01  0.420155D+00  0.410077D+00 -0.773138D+00  0.151565D+01
               266           267           268           269           270 
      1  -0.905760D+00  0.151565D+01 -0.155863D+01  0.795148D+00  0.113684D+00
      2  -0.248702D+01 -0.142154D+00  0.795148D+00 -0.367065D+00 -0.740752D+00
      3  -0.142154D+00 -0.111310D+01  0.113684D+00 -0.740752D+00  0.242131D+00
               271           272           273           274           275 
      1   0.120912D+01 -0.933270D+00 -0.187443D+00 -0.434021D+00 -0.500972D+00
      2  -0.933270D+00 -0.320578D+00  0.279320D+00 -0.500972D+00  0.301245D+00
      3  -0.187443D+00  0.279320D+00  0.716763D+00  0.205496D+00  0.710161D+00
               276           277           278           279           280 
      1   0.205496D+00  0.188103D+01 -0.430319D+00 -0.155892D+01  0.200920D+01
      2   0.710161D+00 -0.430319D+00  0.118687D+01 -0.268805D+00  0.492057D+00
      3  -0.175902D+00 -0.155892D+01 -0.268805D+00  0.738237D+01  0.384247D+00
               281           282           283           284           285 
      1   0.492057D+00  0.384247D+00  0.206115D+01  0.160956D+01 -0.303306D+00
      2   0.342430D+01 -0.140660D+01  0.160956D+01  0.513560D+01 -0.650970D+00
      3  -0.140660D+01  0.100240D+01 -0.303306D+00 -0.650970D+00  0.907078D+00
               286           287           288           289           290 
      1   0.592513D+00 -0.921429D+00  0.749533D+00 -0.418306D+00  0.239722D+00
      2  -0.921429D+00  0.134255D+01 -0.187161D-01  0.239722D+00  0.675746D+00
      3   0.749533D+00 -0.187161D-01 -0.238235D+00 -0.632311D+00 -0.315422D+00
               291           292           293           294           295 
      1  -0.632311D+00  0.142629D-02  0.114102D+01 -0.386551D+00 -0.131129D+01
      2  -0.315422D+00  0.114102D+01 -0.857537D+00  0.106535D+00  0.504954D+00
      3   0.275861D+00 -0.386551D+00  0.106535D+00 -0.679110D+00  0.715347D-01
               296           297           298           299           300 
      1   0.504954D+00  0.715347D-01 -0.120780D+01 -0.156112D+00 -0.835737D+00
      2  -0.176100D+01  0.158835D+01 -0.156112D+00 -0.106686D+01 -0.791539D+00
      3   0.158835D+01 -0.738117D+01 -0.835737D+00 -0.791539D+00 -0.578252D+00
               301           302           303           304           305 
      1   0.199096D+01  0.110353D-01  0.315444D+00 -0.135251D+01 -0.915276D+00
      2   0.110353D-01  0.673991D+01  0.111456D+01 -0.915276D+00 -0.566614D+00
      3   0.315444D+00  0.111456D+01  0.122579D+01 -0.698533D+00  0.270188D+00
               306           307           308           309           310 
      1  -0.698533D+00  0.363007D-01 -0.626029D+00  0.274189D+00 -0.103268D+01
      2   0.270188D+00 -0.626029D+00 -0.604989D+00 -0.473288D+00 -0.944739D+00
      3   0.242124D+00  0.274189D+00 -0.473288D+00 -0.512673D+00 -0.547465D+00
               311           312           313           314           315 
      1  -0.944739D+00 -0.547465D+00  0.173307D+01  0.515085D+00  0.544268D+00
      2   0.323526D+00  0.245697D+00  0.515085D+00  0.133407D+01  0.148230D+01
      3   0.245697D+00 -0.535398D+00  0.544268D+00  0.148230D+01  0.738234D+01
               316           317           318           319           320 
      1   0.125405D+01 -0.142008D+01  0.346707D+00 -0.377505D+01  0.180900D+01
      2  -0.142008D+01  0.226729D+01  0.326277D+00  0.180900D+01 -0.453245D+01
      3   0.346707D+00  0.326277D+00  0.287078D+00  0.143197D+01 -0.619898D+00
               321           322           323           324           325 
      1   0.143197D+01  0.194199D+01  0.138058D+00 -0.389462D+00 -0.150798D+01
      2  -0.619898D+00  0.138058D+00 -0.254756D-01 -0.641100D+00  0.125863D+00
      3  -0.132278D+01 -0.389462D+00 -0.641100D+00 -0.241951D+00  0.227581D+00
               326           327           328           329           330 
      1   0.125863D+00  0.227581D+00  0.651260D+00  0.614633D+00 -0.180894D+00
      2   0.642715D+00 -0.107994D+00  0.614633D+00 -0.437688D+00 -0.749063D+00
      3  -0.107994D+00 -0.728564D+00 -0.180894D+00 -0.749063D+00  0.108753D+00
               331           332           333 
      1  -0.208443D+01 -0.583852D-01  0.133710D+01
      2  -0.583852D-01 -0.985439D+00 -0.849308D+00
      3   0.133710D+01 -0.849308D+00 -0.738213D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.112727D+02 -0.620247D+01  0.540673D+01 -0.526887D+01  0.441558D+00
      2   0.331468D+00  0.265340D+01  0.335054D+01  0.168176D+01  0.200896D+01
      3  -0.917966D+01  0.211403D+01  0.953983D+01  0.608320D+01  0.711841D+01
                 6             7             8             9            10 
      1  -0.915580D+01 -0.378578D+00 -0.252314D+01  0.135011D+00  0.471322D+01
      2   0.102707D+01  0.548581D+00 -0.352308D+00 -0.521715D+00 -0.299663D+01
      3   0.155141D+01  0.102287D+02  0.205827D+01 -0.329125D+01  0.969994D+01
                11            12            13            14            15 
      1  -0.851362D+01 -0.682187D+01 -0.732091D+01  0.621372D+01 -0.675723D+01
      2   0.199982D+01  0.575161D+01  0.253212D+01  0.100216D+01  0.373318D+00
      3  -0.484559D+01 -0.821819D+01 -0.853038D+00 -0.762708D+01  0.509153D+01
                16            17            18            19            20 
      1  -0.326125D+00 -0.223624D+01 -0.338023D+00  0.414776D+00 -0.117812D+01
      2   0.837097D+00  0.104736D+01 -0.429378D+00  0.192374D+02  0.135933D+02
      3  -0.866582D+01  0.580258D+01  0.329576D+01 -0.213822D+02 -0.177632D+02
                21            22            23            24            25 
      1   0.318052D+01 -0.103499D+01 -0.149894D+02  0.214941D+01  0.111579D+02
      2   0.888752D+01  0.424494D+01 -0.653123D+00 -0.307613D+01 -0.999841D+01
      3  -0.864054D+01  0.708243D+00  0.137604D+02  0.208043D+01 -0.298165D+01
                26            27            28            29            30 
      1   0.185750D+02  0.182676D+02  0.219238D+01  0.344844D+01  0.725362D-01
      2  -0.118242D+02 -0.165710D+02  0.310111D+01 -0.218090D+01 -0.191657D+01
      3   0.254230D+01 -0.686430D+00 -0.113968D+00  0.865421D+00 -0.334401D-01
                31            32            33            34            35 
      1   0.314901D+01 -0.222944D+01  0.192887D+01  0.148850D+00 -0.336014D-01
      2  -0.216580D+01 -0.332224D+01  0.102891D+00  0.312335D+00 -0.242816D-01
      3  -0.962686D+00 -0.161300D-01  0.157116D+00  0.749588D-01  0.880123D-01
                36            37            38            39            40 
      1  -0.872205D-01  0.480643D+01 -0.262375D+01  0.159937D+01  0.102256D+01
      2  -0.210378D+00  0.886848D+01 -0.183711D+02  0.946579D+01 -0.980961D+01
      3  -0.109664D+00  0.102177D+02 -0.276972D+02  0.878070D+01 -0.926486D+01
                41            42            43            44            45 
      1   0.156526D+02  0.282855D+01 -0.478272D+01  0.255091D+02 -0.232546D+02
      2   0.278161D+01 -0.176325D+01 -0.313964D+01  0.540582D+01 -0.826776D+01
      3  -0.244917D+01 -0.140005D+01  0.374617D+01  0.119422D+01  0.715904D+00
                46            47            48            49            50 
      1   0.676099D+00 -0.175230D+01  0.436716D+01 -0.110188D+02 -0.210177D+02
      2   0.146346D+02  0.281583D+01 -0.114632D+01  0.167763D+01 -0.266731D+01
      3  -0.152898D+02 -0.554217D+01 -0.319176D+01  0.129719D+02  0.229408D+02
                51            52            53            54            55 
      1  -0.791758D+01  0.125633D+02  0.131383D+02  0.187885D+02  0.729523D+00
      2  -0.446901D+01 -0.155938D+02 -0.119180D+02 -0.159648D+02 -0.818663D+01
      3   0.830877D+01 -0.286700D+01  0.262796D+01  0.687506D+00  0.658027D+01
                56            57            58            59            60 
      1  -0.384803D+01 -0.391629D+00 -0.347885D+01  0.265957D+01 -0.669527D+01
      2   0.639748D+01  0.580123D+01  0.766736D+01 -0.234590D+01  0.682577D+01
      3   0.302351D+01 -0.610944D+01  0.701740D+01 -0.864427D+01  0.747380D+01
                61            62            63            64            65 
      1  -0.120419D+01 -0.102344D+01  0.382313D+00 -0.117047D+01 -0.226842D+01
      2   0.202800D+01  0.481217D+00  0.394432D+00 -0.187547D+01  0.328716D+01
      3  -0.689429D+01  0.781857D+01 -0.329891D+01 -0.574060D+01 -0.805668D+01
                66            67            68            69            70 
      1  -0.184345D+01 -0.335324D+01 -0.253706D+01 -0.289202D+01  0.805881D-01
      2   0.960358D+01  0.409454D+01  0.123039D+02 -0.458087D+01  0.247743D+01
      3  -0.300093D+00 -0.406190D+01  0.784028D+01 -0.964261D+01 -0.709090D+00
                71            72            73            74            75 
      1  -0.594532D+00  0.538277D+00 -0.435219D+01  0.103466D+02  0.319763D+01
      2   0.624309D+00 -0.790924D-01 -0.163849D+02 -0.107651D+01 -0.213412D+01
      3  -0.103962D+02  0.331163D+01 -0.236395D+01  0.102634D+02  0.244939D+01
                76            77            78            79            80 
      1   0.183809D+02 -0.438500D+01 -0.882866D+01 -0.230959D+01  0.216371D+01
      2   0.353202D+01 -0.537501D+01 -0.319680D+01 -0.265028D+02  0.158354D+01
      3   0.286879D+02 -0.515265D+01 -0.855521D+01 -0.675829D+00 -0.393249D+01
                81            82            83            84            85 
      1   0.526956D+01  0.215205D+01  0.396955D+01 -0.625743D+01 -0.406165D+01
      2   0.241650D+02  0.105069D+02 -0.106167D+02  0.332369D+01 -0.602591D+01
      3  -0.645625D+00  0.123868D+02 -0.201139D+02  0.614228D+01 -0.169794D+01
                86            87            88            89            90 
      1   0.212510D+02 -0.340466D+01 -0.982538D+01  0.221311D+02 -0.234836D+02
      2  -0.722048D+01  0.635504D+01 -0.651921D+01  0.918885D+01 -0.753456D+01
      3  -0.199700D+02  0.642644D+01  0.366434D+01  0.132567D+01 -0.702457D+00
                91            92            93            94            95 
      1  -0.801576D+01 -0.408066D+01 -0.991448D+00 -0.421002D+01  0.854385D+00
      2  -0.995737D+01 -0.823126D+00  0.339171D+01 -0.210794D+01  0.157958D+01
      3  -0.805452D+00  0.687548D+01  0.851596D+01  0.108965D+02  0.294045D+01
                96            97            98            99           100 
      1  -0.912792D+01  0.128105D+01 -0.177361D+01 -0.199686D+00 -0.150285D+01
      2  -0.547598D+01  0.125793D+01 -0.586080D+00  0.523183D+00 -0.202078D+01
      3   0.455394D+01  0.934528D+01  0.461220D+01  0.332355D+01 -0.512823D+00
               101           102           103           104           105 
      1   0.171506D+00  0.464859D+01 -0.113190D+01  0.891928D+01 -0.288229D+01
      2   0.296645D+01  0.961028D+01  0.263624D+01  0.102081D+02  0.181674D+01
      3  -0.110999D+02 -0.339991D+01 -0.712597D+01 -0.157212D+01 -0.902297D+01
               106           107           108           109           110 
      1   0.515677D+00 -0.105536D+01 -0.544535D+00  0.744270D+01  0.778989D+01
      2   0.203251D+01 -0.122079D+01  0.116637D+00 -0.200715D+02  0.263409D+01
      3  -0.330227D+01 -0.989289D+01 -0.331623D+01  0.166816D+02  0.552006D+01
               111           112           113           114           115 
      1  -0.624656D+01  0.134363D+02 -0.766251D+01 -0.499655D+01 -0.689350D+01
      2   0.172808D+01 -0.474054D+01 -0.347918D+01  0.606749D+01 -0.243757D+02
      3  -0.560861D+01  0.240528D+02 -0.901415D+01 -0.698501D+01 -0.948844D+00
               116           117           118           119           120 
      1   0.435056D+01  0.450790D+01  0.116452D+01 -0.166756D+01 -0.184272D+01
      2   0.753084D+01  0.243734D+02  0.294830D+01  0.101558D+01  0.557798D+01
      3  -0.390938D+01  0.716077D+00  0.691811D+01 -0.553555D+01 -0.293190D+01
               121           122           123           124           125 
      1  -0.182092D+00  0.107663D+01 -0.337654D+00 -0.129323D+01  0.139038D+01
      2  -0.357769D+01 -0.187000D+01  0.641159D+00  0.261064D+01 -0.327859D+00
      3  -0.205888D+01  0.178122D+01  0.242774D+01 -0.680966D+00  0.301192D+01
               126           127           128           129           130 
      1   0.767820D+00  0.756800D+00  0.106457D+01  0.739034D+00 -0.163265D+00
      2  -0.260842D+01 -0.440369D+01  0.146183D+01 -0.228000D+01  0.859010D+00
      3   0.101102D+01 -0.336020D+01  0.339742D+01 -0.195662D+01  0.262075D+01
               131           132           133           134           135 
      1  -0.312351D+01 -0.188217D+01 -0.119505D+00  0.120502D+01  0.878946D+00
      2  -0.689179D+01  0.765963D+01 -0.196775D+01  0.540830D+01 -0.643666D+01
      3  -0.151475D+02  0.722176D+01 -0.476995D+00  0.580989D+01 -0.578528D+01
               136           137           138           139           140 
      1   0.147216D+00  0.103391D+01 -0.160651D+01  0.265439D+01  0.229109D+01
      2   0.205050D+00  0.334923D+00  0.483396D+01 -0.421395D+01  0.304953D+00
      3  -0.135609D+01 -0.520589D+01 -0.851095D+00 -0.173319D+01 -0.736383D+01
               141           142           143           144           145 
      1  -0.107981D+01 -0.992713D+00  0.377076D+00 -0.973764D+00 -0.274510D+01
      2   0.280967D+01  0.159239D+01  0.261825D+01  0.253356D+01  0.317499D+01
      3  -0.371352D+01  0.128681D+01 -0.280675D+01 -0.101612D+01  0.480218D+01
               146           147           148           149           150 
      1   0.129707D+01 -0.128351D+01  0.261564D+01 -0.598979D+01  0.300227D+01
      2   0.206715D+00  0.261895D+01  0.490669D+00  0.433768D+01 -0.710531D+01
      3  -0.456667D+01  0.284496D+01 -0.530987D+01  0.136781D+02 -0.692493D+01
               151           152           153           154           155 
      1  -0.155506D+01  0.416262D+01 -0.321660D+01  0.138204D+01 -0.570364D+00
      2   0.996655D+00 -0.373057D+01  0.563852D+01  0.113864D+01 -0.690089D+00
      3   0.314920D+01 -0.491487D+01  0.578206D+01 -0.227325D+00 -0.205383D+01
               156           157           158           159           160 
      1   0.228388D+01  0.265884D+01 -0.344239D+01 -0.319186D+01  0.116614D+01
      2   0.271743D+01  0.288823D+01  0.249120D+00 -0.348845D+01  0.273129D-01
      3  -0.638601D+00  0.142502D+01  0.890718D+01 -0.375090D+01 -0.226925D+01
               161           162           163           164           165 
      1  -0.119677D+01  0.187933D+01  0.544559D+01  0.184224D+01  0.413084D+01
      2  -0.278713D+01  0.197332D+01  0.110796D+01 -0.441504D+00  0.385165D+01
      3  -0.209812D+01  0.101215D+01 -0.958936D+01 -0.624704D+01 -0.527788D+01
               166           167           168           169           170 
      1   0.295901D+01  0.551112D+01  0.424162D+01  0.370310D+01  0.418031D+01
      2  -0.119271D+01  0.248372D+01  0.426441D+01  0.999030D+00  0.159705D+01
      3  -0.699120D+01 -0.889162D+01 -0.530460D+01 -0.479966D+01 -0.332523D+01
               171           172           173           174           175 
      1   0.514812D+01 -0.460911D+00 -0.244617D+01  0.332845D+01  0.690831D+00
      2   0.399335D+01  0.360837D+01 -0.233863D+01  0.393075D+01  0.134306D+01
      3  -0.579474D+01 -0.886788D+01 -0.260738D+01  0.363835D+01  0.874587D+00
               176           177           178           179           180 
      1  -0.119695D+01 -0.198600D+01  0.256538D+01  0.462708D+00 -0.169970D+01
      2  -0.174615D+01 -0.213139D+01  0.167781D+01 -0.941317D+00 -0.210217D+01
      3   0.145842D+00  0.111587D+01  0.178507D+01  0.251848D+01 -0.101289D+01
               181           182           183           184           185 
      1  -0.200880D+01  0.134960D+01 -0.320575D+01  0.447838D+00 -0.105775D+00
      2  -0.521386D+01 -0.274220D+01 -0.411630D+01 -0.173992D+01 -0.613360D+01
      3   0.719375D+01  0.670019D+01  0.457697D+01  0.596900D+01  0.113026D+02
               186           187           188           189           190 
      1  -0.375182D+01 -0.961371D+00 -0.631488D+00 -0.328920D+01 -0.566188D+00
      2  -0.518495D+01 -0.381904D+01 -0.433321D+01 -0.561368D+01 -0.186792D+01
      3   0.593208D+01  0.268900D+01  0.519373D+01  0.578662D+01  0.635484D+01
               191           192           193           194           195 
      1   0.447293D+01 -0.225270D+01 -0.247112D+00  0.381593D+00 -0.534196D+01
      2  -0.230251D+01  0.573908D+00 -0.129271D+01 -0.613067D+00  0.104795D+01
      3   0.238063D+01  0.356959D+01  0.585888D+01  0.234348D+01  0.132631D+01
               196           197           198           199           200 
      1  -0.230243D+01 -0.202380D+01 -0.264012D+01 -0.504447D+01 -0.350010D+00
      2  -0.809081D+00  0.680258D+00  0.637486D+00  0.586216D+01 -0.217898D+01
      3   0.295015D+01 -0.914127D+00  0.101189D+01 -0.148268D+02  0.396903D+01
               201           202           203           204           205 
      1   0.773513D+01 -0.248352D+00 -0.357319D+01 -0.176563D+01  0.435835D+01
      2  -0.216017D+01 -0.822725D+00  0.185998D+01  0.664265D+00 -0.379475D+01
      3   0.723812D+01  0.321702D+01 -0.369429D+01 -0.191779D+01  0.528038D+01
               206           207           208           209           210 
      1  -0.613343D+00 -0.602882D+01  0.161673D+01  0.410474D+01  0.801479D-01
      2   0.933604D+00  0.245649D+01 -0.111635D+01  0.700966D+00  0.107517D+00
      3  -0.249093D+01 -0.578627D+01 -0.285440D+01  0.259147D+01 -0.278707D+01
               211           212           213           214           215 
      1  -0.645688D+00 -0.240049D+01 -0.580526D+01  0.861032D+00 -0.266575D+01
      2   0.157594D+01 -0.124686D+01  0.112167D+01 -0.144675D+01  0.763280D+00
      3   0.607179D+01 -0.585841D+01  0.259031D+01 -0.307373D+01  0.284342D+00
               216           217           218           219           220 
      1   0.267628D+01  0.669464D+01 -0.593900D+00 -0.809666D+01 -0.100695D+01
      2  -0.422516D+00  0.408643D+01  0.604192D+00  0.930161D+00 -0.672327D+00
      3  -0.101147D+01  0.157547D+02 -0.102388D+01 -0.742368D+01 -0.173449D+01
               221           222           223           224           225 
      1   0.419193D+01  0.129290D+01 -0.542205D+01  0.125462D+01  0.651303D+01
      2  -0.260661D+00 -0.299111D+00 -0.193909D+01  0.123296D+00 -0.461542D-01
      3   0.273966D+01  0.994805D+00 -0.584772D+01 -0.260523D+00  0.579170D+01
               226           227           228           229           230 
      1  -0.481731D+00  0.387423D+01  0.858073D+00  0.110792D+01  0.700009D+00
      2  -0.913205D+01  0.362919D+01 -0.261168D+00  0.123353D+01 -0.306248D+00
      3  -0.120651D+02  0.146517D+01 -0.202935D+01  0.200095D+01 -0.921310D+00
               231           232           233           234           235 
      1  -0.183599D+01  0.187588D+01 -0.243287D+01  0.744230D+00  0.178009D+01
      2  -0.602340D+00  0.146928D+01 -0.194055D+01 -0.287148D+00  0.298404D-01
      3  -0.428953D+00  0.192378D+01 -0.100955D+00 -0.593053D+00 -0.509239D+00
               236           237           238           239           240 
      1  -0.296020D+00 -0.430772D+00  0.128747D+01  0.815255D+00  0.303607D+01
      2   0.493842D+00 -0.123569D+01  0.145706D+00 -0.198973D+01  0.165007D+01
      3  -0.258250D+00 -0.176850D+01  0.336524D+00 -0.180853D+01 -0.139750D+00
               241           242           243           244           245 
      1   0.285050D+01  0.815145D+00  0.157622D+02 -0.175908D+01  0.263492D+01
      2  -0.152917D+01 -0.156431D+01  0.442861D+01 -0.960063D+01 -0.912337D+00
      3  -0.196533D+01 -0.202639D+01 -0.172918D+01  0.116328D+02 -0.298078D+01
               246           247           248           249           250 
      1  -0.135839D+01  0.965240D+00 -0.202011D+01 -0.989184D+00 -0.165974D+01
      2   0.509592D+00  0.243477D+01  0.968794D+00  0.111285D+01  0.296463D+01
      3   0.174711D+01 -0.247283D+01  0.131296D+01 -0.116631D+01 -0.183250D+01
               251           252           253           254           255 
      1  -0.913528D+00 -0.779754D+00 -0.136352D+01 -0.510051D+00  0.761173D+00
      2   0.172017D+01  0.550569D-02  0.307117D-01 -0.100862D+01 -0.223359D+01
      3   0.651203D+00  0.600678D+00  0.743275D+00  0.188621D+00  0.157627D+01
               256           257           258           259           260 
      1   0.107964D+01 -0.171543D+01  0.203136D+01 -0.246518D+01  0.250258D+01
      2  -0.125365D+01 -0.862137D+00 -0.199362D+01  0.173433D+00  0.116240D+01
      3   0.781152D+00  0.156753D+01 -0.805395D+00  0.102830D+01 -0.263258D+01
               261           262           263           264           265 
      1  -0.128602D+02 -0.314195D+01 -0.310175D+01  0.710203D+00 -0.382894D+01
      2   0.101050D+02  0.384401D+01  0.216748D+01  0.187493D+01  0.581851D+01
      3   0.174290D+01 -0.525159D+01 -0.590894D+01  0.709673D+00 -0.541777D+01
               266           267           268           269           270 
      1  -0.516254D+01  0.391392D+00 -0.559277D+00 -0.293051D-01 -0.617875D+00
      2   0.690435D+00 -0.419044D+00  0.380655D+01  0.531694D+00 -0.467774D+00
      3  -0.781194D+01  0.197813D+01 -0.104174D+01 -0.164841D+01 -0.617818D+00
               271           272           273           274           275 
      1  -0.181701D+01  0.107809D+01  0.357935D+00 -0.145273D-01 -0.115225D+01
      2   0.316790D+00  0.657737D-01 -0.349782D+01 -0.109042D+01 -0.159835D+01
      3  -0.150155D+01  0.236961D+00  0.764355D+00  0.834078D+00 -0.806278D+00
               276           277           278           279           280 
      1   0.778784D+00 -0.173551D+00  0.327478D+01 -0.404977D+01 -0.268161D+00
      2   0.865839D+00  0.921133D+00  0.146285D+01 -0.158461D+02  0.420455D+01
      3   0.159464D+01 -0.788449D+00  0.271435D+01 -0.172267D+01  0.624277D+01
               281           282           283           284           285 
      1  -0.577066D+01  0.689689D+00 -0.199520D+01 -0.531687D+01 -0.167673D+01
      2   0.326393D+01 -0.192193D+00  0.300549D+01  0.336825D+01 -0.957223D+00
      3   0.556904D+01 -0.187563D+01  0.604724D+01  0.670215D+01 -0.941622D+00
               286           287           288           289           290 
      1  -0.295104D-01 -0.391692D+01  0.384146D+00  0.124049D+01  0.131989D+01
      2  -0.281850D-01  0.825717D-01  0.669854D+00  0.147628D+01  0.137135D+00
      3   0.148802D+01  0.127951D+01  0.600465D+00  0.952919D+00 -0.901701D+00
               291           292           293           294           295 
      1  -0.122901D+01  0.302061D+00 -0.404738D+00  0.336618D+01 -0.898532D+00
      2  -0.896038D+00 -0.110562D+01  0.164318D+01 -0.156764D-01 -0.340397D+01
      3  -0.148770D+01 -0.303296D+00  0.135944D+01 -0.960569D+00 -0.279083D+01
               296           297           298           299           300 
      1  -0.108842D+01  0.151875D+02 -0.901067D+00 -0.363997D+01 -0.112100D+01
      2  -0.409269D+00  0.608769D+01  0.241821D+01 -0.135220D+01  0.662967D+00
      3   0.419249D+00  0.174963D+01 -0.223266D+01  0.371366D+01  0.138047D+01
               301           302           303           304           305 
      1  -0.744241D-01  0.896300D+01 -0.816034D+00 -0.138988D+01 -0.336950D+01
      2  -0.257280D+01  0.249196D+01  0.138816D+01  0.515144D+00  0.134549D+01
      3   0.419978D+01 -0.107594D+02 -0.160104D+01 -0.879013D+00  0.173514D+01
               306           307           308           309           310 
      1  -0.105185D+00  0.313929D+00  0.144532D+01  0.191773D+01  0.994130D+00
      2   0.770990D+00  0.190432D+01 -0.840466D+00 -0.168408D+01  0.712289D+00
      3  -0.607611D+00 -0.144927D+01 -0.873878D+00  0.998081D+00 -0.271751D+00
               311           312           313           314           315 
      1   0.585662D-01  0.260594D+01 -0.751668D+00 -0.543605D+00 -0.117008D+02
      2   0.133056D+01 -0.700133D+00 -0.294236D+01  0.204416D+01  0.114347D+02
      3  -0.852407D+00 -0.146091D+01  0.273800D+01 -0.674051D+00 -0.172392D+01
               316           317           318           319           320 
      1   0.107203D+01 -0.208864D+01  0.301562D+00 -0.415516D+01  0.826136D+01
      2   0.161751D+00 -0.143086D+01  0.193392D+01 -0.456881D+01  0.826243D+00
      3   0.151638D+01 -0.334268D+01  0.148642D+00 -0.285650D+01  0.113880D+02
               321           322           323           324           325 
      1   0.475430D+00  0.175798D+01 -0.963934D+00  0.365502D+00  0.213068D+01
      2  -0.502686D+00  0.289176D+01 -0.167202D+01 -0.702034D+00 -0.371988D+00
      3   0.213236D+01  0.358314D+00 -0.187366D+01  0.579495D+00  0.180298D+01
               326           327           328           329           330 
      1   0.259016D+00 -0.138696D+01 -0.309325D+00  0.182682D+00  0.988099D+00
      2  -0.112255D+01 -0.328248D+01  0.379329D+00 -0.185727D+01  0.167982D+00
      3  -0.192654D+00 -0.906887D-01  0.404720D+00  0.529656D+00  0.176458D+01
               331           332           333 
      1   0.140693D+01  0.207980D+01 -0.232704D+01
      2  -0.273127D+00 -0.270069D+01 -0.161963D+02
      3   0.175444D+01  0.221001D+01  0.173255D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.655567D+01 -0.140754D+02  0.795832D+01 -0.100014D+02  0.298047D+02
      2   0.109670D+02  0.252577D+02 -0.870345D+01  0.186419D+02 -0.435628D+02
      3  -0.441130D+01 -0.111823D+02  0.745130D+00 -0.864054D+01  0.137581D+02
      4  -0.100489D+02  0.623752D+01  0.128479D+02  0.665709D+01  0.122085D+02
      5   0.832316D+01  0.388562D+00 -0.762108D+01 -0.311072D+01 -0.310776D+01
      6   0.144874D+02 -0.918248D+01 -0.561691D+01 -0.399834D+01  0.265067D+02
                 6             7             8             9            10 
      1  -0.136768D+02  0.646307D+01 -0.875437D+01 -0.109431D+01  0.124044D+02
      2   0.256114D+02 -0.673902D+01  0.172551D+02 -0.295721D+01 -0.176483D+02
      3  -0.119346D+02  0.275951D+00 -0.850068D+01  0.405152D+01  0.524389D+01
      4   0.215086D+00  0.105272D+02 -0.222065D+01 -0.422431D+01  0.100195D+01
      5  -0.929432D+00 -0.649102D+01 -0.328639D+00  0.805580D+00 -0.983365D+00
      6  -0.657525D+01 -0.382397D+01 -0.733189D+01 -0.366800D+01 -0.222434D+02
                11            12            13            14            15 
      1   0.118857D+02 -0.215251D+00  0.967437D+01  0.109121D+01  0.881996D+01
      2  -0.265717D+02 -0.507169D+01 -0.218380D+02 -0.514857D+01 -0.195464D+02
      3   0.146860D+02  0.528694D+01  0.121636D+02  0.405736D+01  0.107265D+02
      4  -0.242265D+02 -0.191102D+02 -0.201686D+02 -0.222769D+02 -0.698600D+01
      5  -0.887208D+01 -0.516150D+01 -0.365327D+01 -0.992130D+01  0.312488D+00
      6  -0.879671D+01  0.499752D+01 -0.535971D+01 -0.176226D+02 -0.907615D+01
                16            17            18            19            20 
      1  -0.140109D+01  0.423152D+01  0.163703D+01 -0.184403D+02 -0.494307D+01
      2  -0.212496D+01 -0.119850D+02 -0.570790D+01  0.123970D+02  0.710307D+01
      3   0.352605D+01  0.775347D+01  0.407087D+01  0.604328D+01 -0.216001D+01
      4  -0.153256D+02 -0.534689D+01  0.230726D+01 -0.778973D+01  0.515081D+01
      5  -0.515007D+01 -0.589602D+00  0.214232D+01 -0.432879D+01  0.259047D+01
      6   0.290418D+01 -0.870771D+01  0.307612D+01  0.474270D+01  0.267092D+01
                21            22            23            24            25 
      1  -0.230197D+01 -0.101582D+02 -0.126404D+02 -0.109366D+02 -0.100898D+01
      2   0.281107D+00  0.150286D+02  0.120947D+02  0.129991D+02  0.198448D+01
      3   0.202086D+01 -0.487038D+01  0.545680D+00 -0.206251D+01 -0.975501D+00
      4   0.204392D+01  0.772457D+01  0.107991D+02  0.553206D+01  0.350913D+00
      5   0.393505D+01  0.160840D+01  0.901725D+01  0.204744D+01  0.302202D+01
      6   0.221787D+01  0.456885D+01  0.920146D+01  0.705117D+01 -0.143062D+00
                26            27            28            29            30 
      1  -0.564529D+01  0.358162D+01 -0.916480D+01 -0.175337D-01 -0.533652D+01
      2   0.525864D+01  0.126650D+02  0.320899D+01  0.281178D-01  0.534976D+01
      3   0.386644D+00 -0.162466D+02  0.595581D+01 -0.105841D-01 -0.132449D-01
      4   0.371340D+01 -0.754225D-01  0.108554D-01 -0.610648D+01  0.355848D+01
      5   0.521535D+00 -0.451116D+01 -0.325437D+01  0.219751D+01 -0.327864D+01
      6   0.591640D+01 -0.720662D+01  0.219462D+01  0.334086D+01 -0.207551D-01
                31            32            33            34            35 
      1   0.242575D-01  0.323154D+01  0.352692D+01 -0.771949D+01  0.517630D+01
      2  -0.474381D-01 -0.919745D+01 -0.353566D+01  0.773866D+01 -0.518066D+01
      3   0.231806D-01  0.596591D+01  0.873843D-02 -0.191772D-01  0.436227D-02
      4  -0.620730D+01 -0.149660D-01  0.536884D+01  0.520889D+01  0.770053D+01
      5   0.215136D+01  0.329695D+01  0.577233D-01  0.384928D+01 -0.547775D-02
      6   0.330268D+01 -0.217263D+01 -0.328434D+01  0.487305D-02  0.376869D+01
                36            37            38            39            40 
      1  -0.699889D-01 -0.297131D+01  0.115423D+01  0.121974D+01  0.624435D+01
      2  -0.147400D+00 -0.473246D+01 -0.360328D+00 -0.388250D+01 -0.813526D+01
      3   0.217389D+00  0.770377D+01 -0.793900D+00  0.266276D+01  0.189092D+01
      4   0.252413D-02  0.127184D+02 -0.543106D+01 -0.221937D+01 -0.825872D+01
      5  -0.375281D-01 -0.465812D+01  0.255327D+01  0.288525D+01  0.418597D+01
      6   0.277788D-01 -0.113183D+01 -0.101943D+01 -0.488484D+00  0.333998D+00
                41            42            43            44            45 
      1  -0.220800D+02  0.117626D+02  0.178888D+01  0.643112D+01  0.497775D+01
      2   0.232168D+02 -0.129176D+02 -0.765965D+00 -0.643166D+01  0.112566D+02
      3  -0.113679D+01  0.115494D+01 -0.102291D+01  0.547884D-03 -0.162344D+02
      4   0.479407D+01 -0.402525D+01  0.300962D+00 -0.144744D+01  0.326580D+01
      5   0.362555D+01 -0.328318D+00  0.330749D+01  0.575361D+00 -0.138122D+01
      6  -0.135521D+02  0.809063D+01  0.122537D+01  0.560157D+01  0.840898D+01
                46            47            48            49            50 
      1   0.661758D+01  0.116257D+02  0.111210D+02  0.464937D+01  0.161831D+02
      2  -0.818477D+01 -0.618131D+01 -0.878745D+01 -0.189563D+01 -0.212009D+02
      3   0.156719D+01 -0.544436D+01 -0.233357D+01 -0.275375D+01  0.501773D+01
      4   0.111197D+02  0.125903D+02  0.805881D+01  0.846877D+01 -0.100749D+01
      5   0.705899D+01  0.453684D+01  0.643145D+01  0.254469D+01  0.617811D+01
      6   0.922773D+01  0.387617D+01  0.236955D+01  0.463587D+01 -0.281001D+01
                51            52            53            54            55 
      1   0.117802D+01  0.381211D+01  0.236463D+01  0.125216D+02  0.501416D+01
      2  -0.293733D+01 -0.432028D+01 -0.149840D+01  0.372792D+01 -0.562332D+01
      3   0.175930D+01  0.508174D+00 -0.866222D+00 -0.162495D+02  0.609157D+00
      4   0.339394D+01  0.485626D+01  0.133380D+01  0.111134D+01 -0.152764D+02
      5   0.257712D+01  0.582986D+01  0.238711D+00 -0.657994D+01 -0.146788D+02
      6   0.453994D+01  0.880748D+00  0.312287D+01 -0.536914D+01 -0.101198D+02
                56            57            58            59            60 
      1  -0.131104D+02 -0.171143D+02 -0.166964D+02 -0.217373D+02 -0.229130D+01
      2   0.156710D+01  0.715429D+01  0.262009D+01  0.130213D+02 -0.433117D+01
      3   0.115433D+02  0.996003D+01  0.140763D+02  0.871599D+01  0.662246D+01
      4  -0.251667D+02 -0.781604D+01 -0.300190D+02 -0.995808D+01 -0.202806D+02
      5  -0.384714D+01 -0.967718D+01 -0.660111D+01 -0.234314D+02  0.440654D+01
      6  -0.514261D+01 -0.258258D+00 -0.107773D+02 -0.584961D+01 -0.453191D+01
                61            62            63            64            65 
      1  -0.104876D+02  0.500238D+00 -0.616456D+01 -0.495303D+02  0.817346D+01
      2   0.325315D+01 -0.499690D+01  0.210073D+01  0.335398D+02 -0.220852D+01
      3   0.723448D+01  0.449666D+01  0.406383D+01  0.159905D+02 -0.596494D+01
      4  -0.524072D+01 -0.157082D+02  0.128058D+01 -0.556324D+00  0.110395D+02
      5  -0.894939D+01  0.240140D+01  0.277242D+01  0.281041D+02 -0.163482D+01
      6  -0.107989D+01 -0.491275D+01  0.252592D+01  0.109877D+01 -0.479983D+01
                66            67            68            69            70 
      1   0.262293D+02  0.147105D+02  0.173697D+02 -0.841605D+01  0.184686D+02
      2  -0.142913D+02 -0.622000D+01 -0.106968D+02  0.921346D+01 -0.999282D+01
      3  -0.119379D+02 -0.849052D+01 -0.667297D+01 -0.797410D+00 -0.847579D+01
      4   0.388114D+01  0.120245D+02 -0.452990D+01  0.108517D+02  0.903606D-01
      5  -0.579016D+01 -0.723205D+01  0.118574D+02 -0.535752D+01 -0.680732D+01
      6  -0.685630D+00 -0.199725D+01  0.939501D+01 -0.844048D+01 -0.373428D+00
                71            72            73            74            75 
      1  -0.689084D+01 -0.186377D+01  0.213369D+02 -0.191219D+01 -0.109395D+02
      2   0.772466D+01 -0.220033D+01 -0.202138D+02  0.117404D+01  0.101610D+02
      3  -0.833824D+00  0.406411D+01 -0.112313D+01  0.738142D+00  0.778461D+00
      4   0.854404D+01 -0.432846D+01  0.125060D+02 -0.979322D+01 -0.663420D+01
      5  -0.386371D+01 -0.373610D+01 -0.134814D+02 -0.190248D+01  0.813691D+01
      6  -0.704267D+01  0.309804D+00  0.884300D+00  0.491745D+01  0.384946D+00
                76            77            78            79            80 
      1   0.490924D+01 -0.812825D+01 -0.468715D+01 -0.570983D+01 -0.153310D+01
      2  -0.293969D+01  0.415259D+00  0.189195D+01  0.556509D+01  0.256645D+01
      3  -0.196955D+01  0.771300D+01  0.279520D+01  0.144742D+00 -0.103335D+01
      4  -0.542018D+01  0.100785D+02 -0.370456D+01 -0.301396D+01 -0.440562D+00
      5  -0.303668D+01 -0.938013D+00  0.176092D+00  0.536192D+01  0.149993D+01
      6   0.313305D+01 -0.379606D+01  0.286469D+01  0.842118D+00  0.360531D+01
                81            82            83            84            85 
      1   0.103326D+02 -0.456327D+00  0.482142D+01  0.297770D+01  0.723373D+01
      2   0.592571D+01 -0.449799D+01 -0.103327D+02 -0.208836D+00 -0.100305D+02
      3  -0.162584D+02  0.495432D+01  0.551126D+01 -0.276886D+01  0.279675D+01
      4   0.397845D+01 -0.466083D+01  0.120000D+02 -0.102919D+02  0.508136D+01
      5   0.851679D+01  0.235317D+01 -0.897177D+00  0.443354D+01  0.122844D+01
      6  -0.286049D+00 -0.581775D+01  0.780515D+01 -0.233201D+01  0.773264D+01
                86            87            88            89            90 
      1   0.846920D+01  0.737694D+00 -0.108632D+01 -0.465214D+00  0.104703D+02
      2  -0.100931D+02 -0.410125D-01  0.242960D+00 -0.205592D+00  0.578612D+01
      3   0.162386D+01 -0.696682D+00  0.843361D+00  0.670806D+00 -0.162564D+02
      4  -0.209237D+02  0.841761D+01 -0.495942D+01  0.455800D+01 -0.390917D+01
      5   0.737838D+01 -0.250176D+01  0.503712D+01 -0.100983D+01 -0.399719D+01
      6  -0.523600D+01  0.656218D+01 -0.169729D+01  0.391463D+01  0.753448D+01
                91            92            93            94            95 
      1   0.577891D+01 -0.131628D+02 -0.118878D+02 -0.136738D+02 -0.111321D+01
      2   0.147373D+01  0.181320D+02  0.523603D+01  0.211634D+02 -0.154652D+02
      3  -0.725264D+01 -0.496923D+01  0.665181D+01 -0.748969D+01  0.165784D+02
      4  -0.917191D+01 -0.112420D+02  0.783528D+01 -0.162601D+02  0.355848D+02
      5  -0.983601D+01 -0.233996D+01 -0.104206D+02 -0.196075D+01 -0.192706D+02
      6   0.827992D+01 -0.373075D+01  0.272304D+01 -0.996252D+01  0.211085D+02
                96            97            98            99           100 
      1  -0.777553D+01 -0.852600D+01 -0.815817D+01 -0.589831D+01 -0.298562D+02
      2   0.177416D+02  0.358339D+01  0.150910D+02  0.182032D+01  0.120722D+02
      3  -0.996603D+01  0.494261D+01 -0.693281D+01  0.407800D+01  0.177840D+02
      4  -0.179969D+02  0.439447D+01 -0.117367D+02  0.202085D+01  0.340781D+02
      5  -0.200240D+01 -0.883111D+01 -0.806498D+00  0.160334D+01  0.248311D+02
      6  -0.382064D+01  0.271473D+01 -0.501967D+01 -0.341276D+01 -0.153903D+02
               101           102           103           104           105 
      1   0.203114D+02  0.213569D+02  0.159842D+02  0.937665D+01  0.576106D+01
      2  -0.161629D+02 -0.106411D+02 -0.143677D+02 -0.923848D+00 -0.110908D+02
      3  -0.414847D+01 -0.107158D+02 -0.161652D+01 -0.845280D+01  0.532971D+01
      4  -0.540444D+01 -0.152050D+02 -0.994161D+00 -0.110194D+02  0.785569D+01
      5  -0.756656D+01 -0.400523D+01 -0.132643D+01  0.804603D+01  0.353789D+01
      6  -0.414750D+01 -0.115542D+01 -0.372076D+01 -0.960062D+01 -0.102018D+02
               106           107           108           109           110 
      1   0.172835D+02  0.453086D+01  0.117643D+01 -0.119376D+01 -0.107348D+02
      2  -0.977676D+01 -0.854162D+01 -0.522175D+01  0.586166D+00  0.853839D+01
      3  -0.750676D+01  0.401076D+01  0.404532D+01  0.607598D+00  0.219641D+01
      4  -0.900277D+01  0.467440D+01  0.293522D+01 -0.238352D+02  0.138044D+00
      5  -0.533080D+01  0.316108D+01 -0.358723D+01 -0.811481D+01  0.725725D+01
      6  -0.329806D+00 -0.852854D+01  0.115390D+01  0.625249D+01  0.285415D+01
               111           112           113           114           115 
      1  -0.249121D+01 -0.128688D+02 -0.640448D+01  0.225339D+01 -0.151731D+01
      2   0.283295D+01  0.798611D+01  0.420407D+00  0.646911D+00  0.100310D+01
      3  -0.341737D+00  0.488270D+01  0.598408D+01 -0.290030D+01  0.514202D+00
      4   0.934246D+01  0.714719D+01 -0.376799D+01 -0.921914D+01  0.494013D+01
      5   0.715117D+01  0.764232D+01 -0.407626D+01 -0.197482D+01  0.424612D+01
      6  -0.214636D+01  0.762016D+00  0.197079D+01  0.383270D+01 -0.113218D+01
               116           117           118           119           120 
      1   0.132906D+01  0.684709D+01  0.832944D+02 -0.110070D+01 -0.216580D+02
      2  -0.221129D+01  0.939031D+01 -0.480116D+02  0.158068D+01  0.145323D+02
      3   0.882234D+00 -0.162374D+02 -0.352828D+02 -0.479983D+00  0.712567D+01
      4  -0.393885D+01 -0.436148D+01  0.105193D+02  0.797147D+01 -0.249473D+01
      5  -0.176849D+01  0.797805D+01 -0.332581D+02  0.450365D+00  0.186278D+02
      6   0.469472D+01 -0.302310D+01 -0.360968D+01 -0.161872D+01  0.298992D+01
               121           122           123           124           125 
      1  -0.144848D+02  0.744636D+01  0.512330D+01 -0.177796D+02  0.104013D+01
      2   0.100218D+02 -0.413239D+01 -0.472825D+01  0.143165D+02 -0.178485D+01
      3   0.446307D+01 -0.331397D+01 -0.395049D+00  0.346308D+01  0.744725D+00
      4   0.949302D+01 -0.858078D+00 -0.445500D+01 -0.277155D+01 -0.344684D+01
      5   0.634308D+01 -0.574969D+01 -0.274212D+01  0.228011D+02  0.228068D+00
      6  -0.257288D+01 -0.914736D+00  0.275518D+01  0.321919D+01  0.274008D+01
               126           127           128           129           130 
      1   0.135295D+02  0.119256D+01  0.545253D+01 -0.741022D+01  0.445164D+01
      2  -0.110531D+02  0.101064D+00 -0.378025D+01  0.373519D+01 -0.135878D+01
      3  -0.247643D+01 -0.129362D+01 -0.167228D+01  0.367503D+01 -0.309286D+01
      4   0.219067D+01  0.229153D+01  0.787359D-01 -0.138778D+01  0.721323D+01
      5  -0.135663D+02 -0.502222D+01 -0.873343D+00  0.708178D+00 -0.344852D+01
      6  -0.161423D+01 -0.345617D+01  0.277109D+01 -0.191015D+01 -0.217488D+01
               131           132           133           134           135 
      1  -0.133522D+02  0.751691D+01 -0.627891D+01  0.533738D+01 -0.650220D+01
      2   0.182192D+02 -0.645978D+01  0.351473D+01 -0.315264D+01  0.194877D+01
      3  -0.486701D+01 -0.105712D+01  0.276419D+01 -0.218475D+01  0.455343D+01
      4   0.227159D+02 -0.106215D+02 -0.446390D+01 -0.882124D+01  0.815730D+01
      5  -0.106498D+02  0.119963D+02  0.506042D+01  0.860466D+01 -0.107343D+02
      6  -0.169919D+02  0.127100D+02  0.160680D+01  0.112746D+02 -0.110569D+02
               136           137           138           139           140 
      1   0.345473D+02  0.171293D+02  0.101789D+02  0.209677D+02  0.125832D+02
      2  -0.130370D+02 -0.364937D+01 -0.476670D+01 -0.253750D+01  0.450107D+01
      3  -0.215103D+02 -0.134800D+02 -0.541219D+01 -0.184302D+02 -0.170843D+02
      4   0.318196D+02  0.233109D+02  0.974765D+01  0.342538D+02  0.346746D+02
      5   0.185109D+02  0.964426D+01  0.128602D+02  0.137432D+02  0.151776D+02
      6   0.835632D+01  0.584030D+01  0.475900D+01  0.101851D+02  0.117813D+02
               141           142           143           144           145 
      1   0.424408D+01  0.882448D+01  0.256495D+01  0.653484D+01  0.149670D+02
      2   0.404635D+00 -0.562507D+01 -0.105249D+01 -0.406121D+01 -0.100264D+02
      3  -0.464871D+01 -0.319941D+01 -0.151246D+01 -0.247363D+01 -0.494060D+01
      4   0.149304D+02  0.103490D+02  0.107819D+02  0.112992D+02 -0.525786D+01
      5   0.104966D+02  0.170297D+02  0.107330D+02  0.117403D+02  0.122975D+02
      6   0.851111D+01  0.773998D+01  0.850379D+01  0.697214D+01 -0.897005D+00
               146           147           148           149           150 
      1  -0.623074D+01  0.849228D+01 -0.134146D+02  0.839797D+01 -0.347443D+01
      2   0.459440D+01 -0.621705D+01  0.103464D+02 -0.715113D+01  0.654111D+01
      3   0.163634D+01 -0.227524D+01  0.306824D+01 -0.124684D+01 -0.306668D+01
      4   0.773607D+01 -0.179169D+01  0.112377D+02 -0.159232D+02  0.105961D+02
      5  -0.399569D+01  0.100436D+02 -0.906517D+01  0.126073D+02 -0.140519D+02
      6   0.196448D+01 -0.147787D+00  0.430930D+01 -0.578908D+01  0.339312D+01
               151           152           153           154           155 
      1   0.938929D+01 -0.784655D+00  0.451940D+01  0.563166D+01 -0.537450D+01
      2  -0.851797D+01  0.420070D+01 -0.905591D+01  0.395978D+01 -0.501181D+01
      3  -0.871325D+00 -0.341604D+01  0.453651D+01 -0.959144D+01  0.103863D+02
      4  -0.104502D+01  0.724617D+01 -0.619320D+01 -0.176795D+02  0.198353D+02
      5   0.123019D+02 -0.782141D+01  0.152419D+02  0.780100D+01 -0.597364D+01
      6  -0.823486D+00  0.404335D+01 -0.224290D+01 -0.669400D+01  0.495350D+01
               156           157           158           159           160 
      1   0.364645D+01 -0.106916D+01 -0.136622D+02  0.593512D+01  0.157400D+01
      2  -0.422061D+00 -0.142580D+02  0.426767D+02 -0.123053D+02  0.799041D+00
      3  -0.322439D+01  0.153272D+02 -0.290146D+02  0.637021D+01 -0.237304D+01
      4  -0.670165D+01  0.285190D+02 -0.490669D+02  0.156798D+02 -0.807683D+01
      5   0.683564D+01 -0.809504D+01  0.156417D+02 -0.980500D+01  0.925376D+01
      6  -0.407039D+01  0.105346D+02 -0.248346D+02  0.145513D+02 -0.805399D+01
               161           162           163           164           165 
      1   0.540109D+01 -0.300727D+01  0.251903D+02  0.685206D+01  0.106517D+02
      2  -0.802831D+01  0.548328D+01 -0.191645D+02 -0.721128D+01 -0.972965D+01
      3   0.262722D+01 -0.247601D+01 -0.602583D+01  0.359221D+00 -0.922049D+00
      4   0.129881D+02 -0.117429D+02 -0.307959D+01  0.529952D+01 -0.211595D+01
      5  -0.110489D+02  0.819097D+01  0.171145D+02  0.309821D+01  0.140863D+02
      6   0.162926D+02 -0.109428D+02 -0.294677D+01  0.172141D+01 -0.428123D+01
               166           167           168           169           170 
      1   0.145919D+02  0.713489D+01  0.586504D+01  0.890542D+01  0.191184D+01
      2  -0.135377D+02 -0.701717D+01 -0.958731D+01 -0.941827D+01 -0.540863D+01
      3  -0.105417D+01 -0.117721D+00  0.372227D+01  0.512853D+00  0.349678D+01
      4   0.322706D+01  0.374536D+01  0.516011D+01 -0.388275D+01  0.524804D+01
      5   0.866859D+01  0.843649D+01  0.963405D+01  0.141485D+02  0.364455D+01
      6   0.195390D+01 -0.408274D+00 -0.648331D+00 -0.336419D+01  0.219836D+01
               171           172           173           174           175 
      1   0.689875D+01  0.577579D+02 -0.149244D+02 -0.160838D+02 -0.364492D+01
      2  -0.114600D+02 -0.257369D+02  0.256251D+01  0.935601D+01 -0.376382D+01
      3   0.456127D+01 -0.320210D+02  0.123619D+02  0.672782D+01  0.740873D+01
      4  -0.417986D+00 -0.455067D+02  0.220844D+02  0.135657D+02  0.154314D+02
      5   0.149643D+02 -0.285330D+02  0.872666D+01  0.161951D+02  0.291215D+01
      6  -0.377576D+01  0.136944D+02 -0.573283D+01 -0.855873D+01 -0.435671D+01
               176           177           178           179           180 
      1   0.524136D+01 -0.733053D+00 -0.114360D+02  0.142271D+01  0.837965D+01
      2   0.133981D+01  0.308858D+01  0.852855D+01  0.586681D+00 -0.589969D+01
      3  -0.658118D+01 -0.235553D+01  0.290749D+01 -0.200939D+01 -0.247996D+01
      4  -0.118173D+02 -0.525299D+01  0.117303D+02 -0.641130D+01 -0.102313D+02
      5  -0.573562D+01 -0.282499D+01  0.186345D+02 -0.680917D+01 -0.118958D+02
      6   0.539400D+01  0.516430D+01 -0.980108D+01  0.689095D+01  0.666864D+01
               181           182           183           184           185 
      1  -0.502231D+01 -0.122339D+02 -0.939651D+01 -0.669152D+01 -0.203367D+02
      2   0.516327D+01  0.125239D+02  0.560104D+01  0.554286D+01  0.263896D+02
      3  -0.140959D+00 -0.290046D+00  0.379547D+01  0.114866D+01 -0.605289D+01
      4   0.124108D+01  0.777951D+00  0.356352D+01  0.465705D+01 -0.823528D+01
      5  -0.183789D+01  0.124380D+01 -0.109296D+01  0.175714D+01 -0.483083D+01
      6   0.687126D+01  0.756586D+01  0.761606D+01  0.200846D+01  0.180313D+02
               186           187           188           189           190 
      1  -0.101435D+02 -0.551590D+01 -0.890103D+01 -0.110249D+02 -0.197141D+01
      2   0.105838D+02  0.212127D+01  0.794999D+01  0.648420D+01  0.150000D+02
      3  -0.440320D+00  0.339463D+01  0.951044D+00  0.454067D+01 -0.130286D+02
      4  -0.426259D+01  0.489729D+01 -0.554984D+01 -0.278593D+01  0.258685D+02
      5  -0.628997D+01  0.237060D+01 -0.491618D+01 -0.568978D+01  0.798617D+01
      6   0.145350D+02  0.208071D+01  0.139840D+02  0.143303D+02  0.133753D+02
               191           192           193           194           195 
      1  -0.855303D+01 -0.244352D+01 -0.689121D+01 -0.228070D+02 -0.741946D+01
      2   0.258590D+02  0.634336D+01  0.192570D+02  0.483622D+02  0.133917D+02
      3  -0.173060D+02 -0.389984D+01 -0.123658D+02 -0.255552D+02 -0.597227D+01
      4   0.302162D+02  0.128412D+02  0.200072D+02  0.311769D+02  0.924795D+01
      5   0.859109D+01  0.662156D+01  0.481767D+01  0.760708D+01  0.394596D+01
      6   0.141621D+02  0.968481D+01  0.953653D+01  0.226803D+02  0.147701D+02
               196           197           198           199           200 
      1  -0.269662D+01 -0.848052D+01 -0.680243D+01 -0.407822D+01  0.758766D+01
      2   0.378241D+01  0.118474D+02  0.927699D+01  0.598077D+01 -0.110373D+02
      3  -0.108579D+01 -0.336688D+01 -0.247456D+01 -0.190255D+01  0.344964D+01
      4   0.881096D+01  0.936474D+01  0.955013D+01 -0.201718D+02  0.123468D+02
      5   0.626556D+01  0.632907D+01  0.538633D+01 -0.832954D+01  0.467986D+01
      6   0.932156D+01  0.192775D+02  0.125575D+02  0.133148D+02 -0.825656D+01
               201           202           203           204           205 
      1   0.432220D+01  0.296269D+01 -0.688314D+01 -0.497914D+01  0.325958D+01
      2  -0.156467D+01 -0.498731D+01  0.111318D+02  0.763392D+01  0.215688D-01
      3  -0.275753D+01  0.202462D+01 -0.424867D+01 -0.265478D+01 -0.328115D+01
      4   0.119049D+02  0.730392D+01 -0.550331D+01 -0.209847D+01  0.801217D+01
      5   0.534508D+01  0.169107D+01 -0.154502D+01 -0.763719D+00  0.530315D+01
      6  -0.146696D+02 -0.354712D+01  0.104796D+02  0.808390D+01 -0.874339D+01
               206           207           208           209           210 
      1  -0.758820D+01 -0.723466D+01 -0.533335D+01  0.128293D+02 -0.527633D+01
      2   0.889393D+01  0.267711D+01  0.970764D+01 -0.213616D+02  0.659374D+01
      3  -0.130573D+01  0.455754D+01 -0.437429D+01  0.853231D+01 -0.131741D+01
      4  -0.229307D+01 -0.773600D+01 -0.503890D+01  0.125722D+02 -0.582047D+01
      5  -0.174332D+01 -0.421082D+01  0.507661D+00 -0.340682D+01  0.299052D+01
      6   0.110424D+02  0.148394D+02 -0.708364D+01  0.940857D+01 -0.479263D+01
               211           212           213           214           215 
      1   0.515005D+01 -0.468902D+02  0.139814D+02 -0.272449D+01  0.142413D+02
      2  -0.873497D+01  0.811354D+02 -0.209952D+02  0.243692D+01 -0.177707D+02
      3   0.358493D+01 -0.342452D+02  0.701379D+01  0.287567D+00  0.352946D+01
      4   0.828101D+01 -0.408735D+01  0.151351D+01 -0.385174D+01  0.971864D+00
      5  -0.169356D+01  0.823162D-01  0.936691D+00  0.263362D+01  0.571353D+00
      6   0.369342D+01 -0.321480D+02  0.183677D+02 -0.241884D+01  0.228859D+02
               216           217           218           219           220 
      1  -0.111885D+02  0.124757D+02 -0.144215D+01 -0.395654D+01 -0.194237D+01
      2   0.136693D+02 -0.827287D+01  0.492960D+01  0.547241D+01  0.400496D+01
      3  -0.248086D+01 -0.420284D+01 -0.348745D+01 -0.151587D+01 -0.206258D+01
      4  -0.105668D+01  0.249610D+02  0.924906D+01 -0.119734D+02  0.189183D+01
      5   0.167086D+00 -0.153978D+02 -0.336477D+01  0.112089D+02  0.119735D+01
      6  -0.136354D+02 -0.121035D+02 -0.459460D+01  0.133841D+02 -0.137878D+01
               221           222           223           224           225 
      1  -0.118394D+01  0.342659D+01 -0.130497D+01  0.439040D+01 -0.300708D+00
      2   0.316358D+01 -0.693468D+01  0.382616D+01 -0.685054D+01 -0.424210D+01
      3  -0.197964D+01  0.350809D+01 -0.252119D+01  0.246014D+01  0.454281D+01
      4   0.317457D+01 -0.147566D+01 -0.914309D+01 -0.428943D+01  0.897374D+01
      5  -0.283891D+01 -0.520429D+00  0.985390D+01  0.223423D+01 -0.956822D+01
      6  -0.612185D+01  0.222969D+01  0.923530D+01  0.649727D+01 -0.120921D+02
               226           227           228           229           230 
      1   0.124212D+02  0.180198D+01 -0.149563D+01 -0.219723D+01  0.209382D+01
      2  -0.399646D+01 -0.769078D+01  0.549140D+00 -0.156674D+01  0.285803D+01
      3  -0.842471D+01  0.588880D+01  0.946488D+00  0.376397D+01 -0.495185D+01
      4  -0.238429D+02  0.108557D+02 -0.436927D+01  0.909452D+01 -0.710688D+01
      5   0.109511D+02 -0.484476D+01  0.455075D+01 -0.244239D+01  0.137169D+01
      6  -0.381070D+01  0.678520D+01 -0.553149D+01  0.151188D+01  0.347305D-01
               231           232           233           234           235 
      1  -0.122603D+01 -0.103159D+01 -0.357098D+01  0.135465D+01 -0.654393D+00
      2   0.124085D+01 -0.174268D+01  0.622475D+01 -0.331095D+01 -0.220982D+01
      3  -0.148233D-01  0.277427D+01 -0.265377D+01  0.195630D+01  0.286421D+01
      4   0.144232D+01  0.215212D+01 -0.494235D+00 -0.320504D+01 -0.120483D+01
      5  -0.132239D+01  0.224858D+01 -0.684928D+00  0.185635D+01  0.164145D+01
      6   0.125558D+01 -0.263620D+01 -0.655844D+00 -0.502192D+00 -0.245581D+01
               236           237           238           239           240 
      1  -0.298917D+01  0.193241D+01 -0.181271D+01  0.100003D+01 -0.157637D+01
      2   0.295112D+01 -0.666241D+00  0.113613D+01 -0.377231D+01 -0.319494D+01
      3   0.380468D-01 -0.126617D+01  0.676577D+00  0.277229D+01  0.477131D+01
      4   0.247433D+01 -0.307871D+01  0.300084D+00 -0.138790D+00  0.581110D-01
      5  -0.956659D+00  0.514977D+01 -0.140941D+00 -0.116511D+01  0.108004D+01
      6  -0.114729D+01  0.102787D+01 -0.852156D+00  0.485927D+00  0.124323D+01
               241           242           243           244           245 
      1  -0.110274D+01  0.650820D+01 -0.172173D+02  0.296108D+02 -0.200932D+01
      2  -0.324780D+01 -0.380616D+01 -0.193561D+02 -0.182616D+02  0.524999D+01
      3   0.435054D+01 -0.270204D+01  0.365734D+02 -0.113492D+02 -0.324067D+01
      4  -0.382742D+01  0.221931D+00 -0.340314D+01  0.162698D+02  0.647553D+01
      5   0.438000D+01 -0.104574D+01  0.574264D+01  0.135460D+02  0.195231D+01
      6  -0.364386D+01  0.773193D+01 -0.235044D+02  0.103968D+01  0.373234D+01
               246           247           248           249           250 
      1   0.246215D+01 -0.720080D+00  0.453355D+01  0.102574D+01 -0.178621D+01
      2  -0.333966D+01  0.183833D+01 -0.248305D+01 -0.668093D+00 -0.179685D+01
      3   0.877506D+00 -0.111825D+01 -0.205050D+01 -0.357649D+00  0.358306D+01
      4   0.355755D+01  0.163989D+01  0.313676D-01 -0.132713D+01 -0.311685D+01
      5   0.647610D+01 -0.227107D+01 -0.744119D+00 -0.855374D+00  0.298127D+01
      6   0.335474D+01 -0.213577D+00 -0.229343D+01 -0.695202D+00  0.111403D+01
               251           252           253           254           255 
      1   0.268504D+01  0.293934D+01  0.197167D+01  0.321393D+01  0.415484D+01
      2  -0.407730D+01 -0.488131D+01 -0.456440D+01 -0.325190D+01 -0.116581D+01
      3   0.139227D+01  0.194197D+01  0.259273D+01  0.379673D-01 -0.298902D+01
      4  -0.284214D+01  0.604581D+00 -0.390172D+00 -0.841033D+00  0.139437D+01
      5  -0.843418D+00  0.189112D+01  0.200397D+01 -0.904504D+00  0.383389D+01
      6  -0.139764D+01 -0.274889D+00  0.596946D+00 -0.166987D+01 -0.208453D+01
               256           257           258           259           260 
      1   0.939205D+00 -0.160475D+01  0.293509D+00 -0.657162D+00 -0.495521D+01
      2  -0.333690D+00 -0.143274D+01  0.363604D+01 -0.440620D+01  0.413296D+01
      3  -0.605516D+00  0.303750D+01 -0.392955D+01  0.506336D+01  0.822248D+00
      4  -0.133109D+01 -0.885177D+00  0.855209D-01  0.325690D+01  0.277454D+01
      5  -0.154787D+01 -0.803867D+00 -0.215287D+01  0.653965D+01  0.154217D+01
      6  -0.109024D+01  0.104880D+01  0.256476D+01  0.414745D+01  0.557742D+01
               261           262           263           264           265 
      1  -0.151149D+02  0.223127D+02  0.869816D+01 -0.244252D+01  0.138087D+02
      2  -0.214559D+02 -0.123248D+02 -0.584147D+01  0.293492D+01 -0.882683D+01
      3   0.365708D+02 -0.998786D+01 -0.285669D+01 -0.492401D+00 -0.498191D+01
      4   0.165206D+01  0.984054D+01  0.101298D+02 -0.220991D+01  0.661988D+01
      5   0.143234D+02 -0.736179D+01 -0.335336D+01  0.504318D+01 -0.911543D+01
      6   0.194935D+02 -0.373948D+01 -0.358403D+01  0.102938D+01 -0.303096D+01
               266           267           268           269           270 
      1   0.720659D+01 -0.300230D+01  0.534137D+01  0.861386D+00  0.627071D+00
      2  -0.382906D+01  0.381471D+01 -0.166006D+01  0.216952D+00 -0.257851D+01
      3  -0.337753D+01 -0.812409D+00 -0.368131D+01 -0.107834D+01  0.195143D+01
      4   0.124599D+02 -0.239047D+00 -0.309176D+01  0.266899D+01  0.362631D+01
      5  -0.206563D+01  0.525646D+01  0.150902D+01  0.306867D+01 -0.135728D+01
      6  -0.506516D+01  0.759858D+00  0.111145D+01  0.103837D+00 -0.136290D+01
               271           272           273           274           275 
      1  -0.179404D+01  0.454210D+00 -0.379166D+01  0.126583D+01 -0.143469D+01
      2  -0.678093D+00  0.439975D-02 -0.985147D+00 -0.145143D+01 -0.170834D+01
      3   0.247213D+01 -0.458610D+00  0.477680D+01  0.185601D+00  0.314303D+01
      4   0.418369D+01 -0.245270D+00 -0.753053D+00  0.213574D+01 -0.779834D+00
      5   0.533055D+00 -0.134010D+01  0.129432D+01 -0.149125D+01 -0.246715D+01
      6  -0.319562D+00 -0.476045D+00  0.114250D+01 -0.132948D+01  0.894824D+00
               276           277           278           279           280 
      1  -0.879764D+00 -0.153549D+01  0.177147D+00 -0.158826D+02 -0.464547D+01
      2   0.216347D+01  0.603991D+01  0.222702D+01 -0.206922D+02  0.712140D+01
      3  -0.128371D+01 -0.450442D+01 -0.240417D+01  0.365748D+02 -0.247592D+01
      4  -0.263965D+01  0.234915D+01 -0.463310D+01  0.262331D+01  0.899810D+01
      5   0.118819D+01  0.891565D+01  0.101422D+01 -0.232059D+02 -0.405181D+01
      6   0.508488D+01 -0.157643D+01  0.319305D+01  0.678485D+01 -0.106642D+01
               281           282           283           284           285 
      1  -0.887649D+01  0.326246D+01 -0.695663D+01 -0.165449D+02  0.385134D+01
      2   0.128839D+02 -0.251626D+01  0.883115D+01  0.274836D+02 -0.326912D+01
      3  -0.400737D+01 -0.746207D+00 -0.187451D+01 -0.109387D+02 -0.582211D+00
      4   0.399936D+01  0.848674D+00  0.841725D+01  0.660279D+01 -0.133123D+01
      5  -0.198747D+01  0.144887D-01 -0.327945D+01 -0.342070D+01  0.367089D+00
      6  -0.851198D+01  0.457856D+01 -0.289428D+01 -0.937132D+01  0.575696D+01
               286           287           288           289           290 
      1  -0.390776D+00 -0.834520D+00 -0.345424D+01 -0.127549D+01 -0.189575D+01
      2   0.975173D+00  0.464329D+01  0.151597D+01 -0.190014D+01  0.162884D+01
      3  -0.584397D+00 -0.380877D+01  0.193827D+01  0.317563D+01  0.266907D+00
      4   0.299027D+01 -0.352588D+01  0.308413D+01 -0.873893D+00  0.103486D+01
      5  -0.427192D+00  0.849575D+00 -0.117572D+01  0.135572D+01 -0.899356D+00
      6   0.280621D+01  0.201065D+01 -0.150336D+01 -0.190191D+01 -0.197092D+01
               291           292           293           294           295 
      1   0.289388D+01  0.147937D+00 -0.203446D+01 -0.448933D+00  0.268623D+01
      2  -0.970593D+00  0.229145D+00 -0.423431D+00 -0.408382D+01 -0.852874D+00
      3  -0.192329D+01 -0.377082D+00  0.245790D+01  0.453275D+01 -0.183336D+01
      4  -0.210133D+01 -0.956505D+00  0.428109D+01 -0.642051D+00 -0.460953D+01
      5   0.471190D+01 -0.744979D-01 -0.539895D+00  0.157103D+01  0.334822D+01
      6   0.165525D+01 -0.169590D+01  0.230838D-01  0.169237D+01  0.306645D+00
               296           297           298           299           300 
      1   0.572990D+01 -0.213109D+02 -0.333126D+01  0.378648D+01  0.242995D+00
      2  -0.918850D+00 -0.152448D+02  0.496932D+01 -0.393799D+01  0.216615D+00
      3  -0.481105D+01  0.365557D+02 -0.163806D+01  0.151503D+00 -0.459611D+00
      4   0.266487D+01  0.192499D+01 -0.189932D+01  0.430122D+00 -0.183135D+01
      5  -0.230895D+01  0.970798D+01 -0.262566D+01 -0.156514D+00 -0.887078D+00
      6   0.877775D+01 -0.221759D+02 -0.797645D+00 -0.417393D+01 -0.182602D+01
               301           302           303           304           305 
      1   0.587190D+01 -0.207140D+02 -0.418737D+01 -0.306017D+01 -0.143105D+01
      2  -0.389286D+01  0.324367D+02  0.336406D+01  0.214725D+01 -0.229051D+01
      3  -0.197905D+01 -0.117227D+02  0.823314D+00  0.912922D+00  0.372155D+01
      4   0.567649D+01  0.105574D+02  0.248163D+01 -0.319854D+01 -0.344241D+01
      5   0.319913D+01 -0.282789D+00  0.239220D+01 -0.135970D+01  0.548885D+00
      6   0.536546D+00  0.133793D+02  0.669368D+01 -0.141046D+01  0.295806D+01
               306           307           308           309           310 
      1  -0.491845D+01 -0.888861D+00  0.471330D+00  0.371258D+01 -0.247738D+01
      2   0.296540D+01 -0.220741D+01  0.656256D-01 -0.211218D+00  0.238008D+01
      3   0.195305D+01  0.309627D+01 -0.536956D+00 -0.350137D+01  0.973030D-01
      4  -0.417629D+00 -0.460168D+00 -0.134373D+01  0.419612D+00 -0.155188D+01
      5  -0.500781D+00  0.143053D+01 -0.736478D+00  0.313142D+01 -0.140368D+01
      6   0.185502D+01 -0.262227D+00 -0.198260D+01 -0.224468D+01 -0.142549D+01
               311           312           313           314           315 
      1  -0.466846D+01 -0.942307D+00  0.390269D+01 -0.468216D+01 -0.217592D+02
      2   0.214943D+01  0.444458D+01 -0.406779D+01 -0.413019D+00 -0.148167D+02
      3   0.251903D+01 -0.350227D+01  0.165107D+00  0.509518D+01  0.365760D+02
      4  -0.162325D+01  0.725666D+00  0.346800D+01  0.313960D+01  0.765026D+00
      5   0.277251D-01 -0.220687D+01  0.486386D+01  0.391066D+01  0.174781D+02
      6   0.163838D+01  0.324392D+01  0.132294D+01  0.723286D+01  0.166875D+02
               316           317           318           319           320 
      1   0.647140D+01 -0.340248D+01  0.605629D+00 -0.980442D+01  0.631389D+00
      2  -0.205558D+00 -0.651646D+00 -0.481206D+00  0.362520D+01  0.649627D+01
      3  -0.626584D+01  0.405413D+01 -0.124423D+00  0.617922D+01 -0.712765D+01
      4  -0.942696D+01  0.109360D+02  0.220652D+01  0.113441D+02 -0.225082D+02
      5  -0.140526D+01  0.231235D+01  0.218123D+01  0.785133D+01 -0.393495D+01
      6   0.230580D+01 -0.328677D+01 -0.162901D+01 -0.497000D+01  0.943359D+01
               321           322           323           324           325 
      1   0.172882D+01  0.642632D+01 -0.147359D+01 -0.239919D+01 -0.402343D+01
      2  -0.266335D+01 -0.343374D+01 -0.933627D+00  0.452350D+00  0.134521D+01
      3   0.934522D+00 -0.299258D+01  0.240722D+01  0.194684D+01  0.267822D+01
      4  -0.369893D+01  0.522285D+00  0.207984D+01 -0.369878D+01 -0.125925D+01
      5  -0.583311D+01 -0.172453D+00 -0.295170D+01 -0.731033D+00  0.808142D+00
      6   0.360566D+01 -0.999426D+00  0.177431D+01  0.178138D+01 -0.874765D+00
               326           327           328           329           330 
      1   0.736112D+00 -0.318053D+01  0.191992D+01 -0.147786D+01 -0.233455D+00
      2  -0.138964D+01 -0.172708D+01 -0.193321D+01 -0.146829D+01  0.873819D+00
      3   0.653524D+00  0.490761D+01  0.132925D-01  0.294615D+01 -0.640364D+00
      4   0.684036D+00  0.285241D+00  0.317713D+01 -0.855743D+00 -0.329967D+01
      5  -0.372209D+00  0.103850D+01 -0.552054D+00 -0.283200D+01  0.483118D+00
      6  -0.544105D+00  0.535031D+00 -0.139077D+01  0.108728D+01  0.534788D+01
               331           332           333 
      1  -0.336806D+01 -0.268422D+01 -0.184441D+02
      2   0.660904D+01 -0.127863D+01 -0.181280D+02
      3  -0.324097D+01  0.396285D+01  0.365722D+02
      4  -0.586136D+00 -0.408599D+01 -0.356604D+01
      5   0.827944D+01 -0.313412D+01 -0.240430D+02
      6  -0.536173D+00  0.383580D+01  0.263907D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.883090D-03      0.224459D-02      0.748715D-02
   x          0.191352D-03      0.486369D-03      0.162235D-02
   y          0.138826D-03      0.352861D-03      0.117702D-02
   z          0.850858D-03      0.216267D-02      0.721388D-02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.139420D+03      0.206599D+02      0.229872D+02
   aniso      0.253547D+02      0.375717D+01      0.418042D+01
   xx         0.147873D+03      0.219125D+02      0.243810D+02
   yx        -0.236901D-02     -0.351051D-03     -0.390597D-03
   yy         0.147870D+03      0.219120D+02      0.243804D+02
   zx        -0.100961D-03     -0.149609D-04     -0.166462D-04
   zy        -0.253378D-02     -0.375468D-03     -0.417764D-03
   zz         0.122517D+03      0.181551D+02      0.202003D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.146566D+03      0.217189D+02      0.241655D+02
   aniso      0.278683D+02      0.412966D+01      0.459486D+01
   xx         0.155857D+03      0.230957D+02      0.256974D+02
   yx        -0.289499D-02     -0.428993D-03     -0.477319D-03
   yy         0.155854D+03      0.230952D+02      0.256969D+02
   zx        -0.319420D-03     -0.473331D-04     -0.526652D-04
   zy        -0.308713D-02     -0.457465D-03     -0.508998D-03
   zz         0.127987D+03      0.189658D+02      0.211023D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -1.09586463         -5.50308848          0.32546661
     6         -0.79171345         -4.98889569         -2.46362738
     7         -1.47225398         -2.26963737         -2.95700418
    45          0.00013473          0.00009100          0.00017656
     7          0.42052229         -3.57325612          1.76689302
     7          1.82412374          1.95513621          2.98545080
     6          4.63501141          1.56408176          2.76805307
     6          5.35516074          1.70635312          0.01176668
     7          3.73937362         -0.13536852         -1.43689464
     7         -0.85445332          3.43191145         -1.88646038
     6         -3.64246209          3.95121761         -1.64562970
     6         -4.46100190          3.26979527          1.00041610
     7         -3.65718806          0.59124841          1.52988273
     1          7.35262507          1.27980299         -0.26190660
     1          5.01470516          3.58689163         -0.75884133
     1          5.64494176          2.97607793          3.87845868
     1          5.07911941         -0.28254537          3.56732240
     1         -4.04420657          5.92811316         -2.06661185
     1         -4.62154706          2.80932632         -3.05403169
     1         -6.49989077          3.46622884          1.22626436
     1         -3.56489235          4.48636463          2.40153000
     1         -1.97912045         -6.24237594         -3.58859664
     1          1.15615112         -5.27297299         -3.07305004
     1         -0.47629337         -7.40878345          0.80626716
     1         -3.06320060         -5.32744340          0.91293807
     1          2.25914378         -4.14875835          1.81670697
     1         -0.13680707         -3.60173339          3.61144617
     1         -3.38958046         -2.13120444         -3.09399889
     1         -0.83348953         -1.78074671         -4.70815721
     1         -4.96471876         -0.60433466          0.77155817
     1         -3.76900490          0.27654896          3.42780692
     1          0.11459015          4.92682632         -1.15136422
     1         -0.38472376          3.43288452         -3.75542533
     1          1.46192031          3.84757382          2.94426095
     1          1.25716700          1.40034455          4.74171999
     1          4.51698612         -1.89162280         -1.27849529
     1          3.86841282          0.27442683         -3.31549055

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.883090D-03      0.224459D-02      0.748715D-02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.883090D-03      0.224459D-02      0.748715D-02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.139420D+03      0.206599D+02      0.229872D+02
   aniso      0.253547D+02      0.375717D+01      0.418042D+01
   xx         0.146683D+03      0.217361D+02      0.241847D+02
   yx        -0.865415D+00     -0.128241D+00     -0.142688D+00
   yy         0.147244D+03      0.218193D+02      0.242773D+02
   zx         0.529349D+01      0.784414D+00      0.872778D+00
   zy         0.383730D+01      0.568629D+00      0.632685D+00
   zz         0.124333D+03      0.184242D+02      0.204997D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.146566D+03      0.217189D+02      0.241655D+02
   aniso      0.278683D+02      0.412966D+01      0.459486D+01
   xx         0.154549D+03      0.229018D+02      0.254817D+02
   yx        -0.951396D+00     -0.140982D+00     -0.156864D+00
   yy         0.155166D+03      0.229933D+02      0.255835D+02
   zx         0.581801D+01      0.862141D+00      0.959261D+00
   zy         0.421743D+01      0.624958D+00      0.695360D+00
   zz         0.129983D+03      0.192615D+02      0.214314D+02

 ----------------------------------------------------------------------
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 FAULTILY FAULTLESS, ICILY REGULAR, SPLENDIDLY NULL...
           MAUDE BY TENNYSON
 Job cpu time:       1 days 10 hours 17 minutes  9.7 seconds.
 Elapsed time:       0 days  4 hours 17 minutes 46.6 seconds.
 File lengths (MBytes):  RWF=   1267 Int=      0 D2E=      0 Chk=     39 Scr=      2
 Normal termination of Gaussian 16 at Fri Jul 23 00:50:15 2021.
